COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.968   0.194   0.233  1.00  0.00           C  
HETATM    2  C   UNL     1      13.153  -0.168  -0.664  1.00  0.00           C  
HETATM    3  C   UNL     1      10.825   0.738  -0.627  1.00  0.00           C  
HETATM    4  C   UNL     1       9.688   1.215   0.279  1.00  0.00           C  
HETATM    5  C   UNL     1       7.348   3.490   0.656  1.00  0.00           C  
HETATM    6  C   UNL     1       7.425   2.229   0.311  1.00  0.00           C  
HETATM    7  C   UNL     1       8.545   1.758  -0.581  1.00  0.00           C  
HETATM    8  C   UNL     1     -12.251   0.087   0.215  1.00  0.00           C  
HETATM    9  C   UNL     1       4.246   0.095   0.257  1.00  0.00           C  
HETATM   10  C   UNL     1       3.221  -1.039  -1.646  1.00  0.00           C  
HETATM   11  C   UNL     1       0.931   0.459   0.170  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.238   1.445   0.133  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.302   1.000   1.103  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.331   1.495   2.316  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.332  -0.014   0.678  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.532  -0.333  -0.464  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.667   0.368  -1.164  1.00  0.00           C  
HETATM   18  C   UNL     1     -10.009  -0.577   1.040  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.967  -1.236   2.171  1.00  0.00           C  
HETATM   20  C   UNL     1     -11.083  -0.884   0.028  1.00  0.00           C  
HETATM   21  C   UNL     1       5.293   1.091  -0.245  1.00  0.00           C  
HETATM   22  O   UNL     1      17.547  -0.229   0.784  1.00  0.00           O  
HETATM   23  P   UNL     1      16.866  -1.423  -0.054  1.00  0.00           P  
HETATM   24  O   UNL     1      15.446  -0.931  -0.633  1.00  0.00           O  
HETATM   25  O   UNL     1      17.828  -1.839  -1.276  1.00  0.00           O  
HETATM   26  O   UNL     1      16.659  -2.592   0.830  1.00  0.00           O  
HETATM   27  C   UNL     1      14.339  -0.593   0.205  1.00  0.00           C  
HETATM   28  C   UNL     1      11.495  -1.054   0.981  1.00  0.00           C  
HETATM   29  C   UNL     1       6.394   1.248   0.806  1.00  0.00           C  
HETATM   30  C   UNL     1       3.162  -0.060  -0.778  1.00  0.00           C  
HETATM   31  C   UNL     1       2.011   0.911  -0.815  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.485   0.697  -0.032  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.674   0.459  -2.471  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.795   0.963  -0.361  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.837  -0.117  -0.066  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.982   0.487   0.749  1.00  0.00           C  
HETATM   37  C   UNL     1     -13.342  -0.224  -0.812  1.00  0.00           C  
HETATM   38  C   UNL     1     -14.492   0.732  -0.628  1.00  0.00           C  
HETATM   39  C   UNL     1     -14.560   1.822  -1.351  1.00  0.00           C  
HETATM   40  C   UNL     1     -15.565   0.433   0.388  1.00  0.00           C  
HETATM   41  C   UNL     1     -16.618  -0.484  -0.237  1.00  0.00           C  
HETATM   42  C   UNL     1     -17.707  -0.787   0.794  1.00  0.00           C  
HETATM   43  C   UNL     1     -18.745  -1.690   0.178  1.00  0.00           C  
HETATM   44  C   UNL     1     -18.665  -2.987   0.343  1.00  0.00           C  
HETATM   45  C   UNL     1     -19.874  -1.101  -0.628  1.00  0.00           C  
HETATM   46  H   UNL     1      12.275   0.954   0.952  1.00  0.00           H  
HETATM   47  H   UNL     1      12.873  -0.989  -1.323  1.00  0.00           H  
HETATM   48  H   UNL     1      13.434   0.699  -1.263  1.00  0.00           H  
HETATM   49  H   UNL     1      11.187   1.573  -1.227  1.00  0.00           H  
HETATM   50  H   UNL     1      10.459  -0.051  -1.285  1.00  0.00           H  
HETATM   51  H   UNL     1       9.326   0.380   0.879  1.00  0.00           H  
HETATM   52  H   UNL     1      10.054   2.003   0.937  1.00  0.00           H  
HETATM   53  H   UNL     1       8.087   4.193   0.301  1.00  0.00           H  
HETATM   54  H   UNL     1       6.546   3.827   1.296  1.00  0.00           H  
HETATM   55  H   UNL     1       8.907   2.594  -1.181  1.00  0.00           H  
HETATM   56  H   UNL     1     -12.657  -0.022   1.221  1.00  0.00           H  
HETATM   57  H   UNL     1     -11.900   1.109   0.074  1.00  0.00           H  
HETATM   58  H   UNL     1       4.719  -0.871   0.436  1.00  0.00           H  
HETATM   59  H   UNL     1       2.445  -1.150  -2.389  1.00  0.00           H  
HETATM   60  H   UNL     1       4.047  -1.735  -1.620  1.00  0.00           H  
HETATM   61  H   UNL     1       1.348   0.428   1.177  1.00  0.00           H  
HETATM   62  H   UNL     1       0.578  -0.534  -0.108  1.00  0.00           H  
HETATM   63  H   UNL     1       0.115   2.438   0.411  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.093   1.176   3.011  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.592   2.222   2.620  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.875  -0.734  -0.001  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.713  -0.535   1.557  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.912  -0.853   0.415  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.703  -1.999   2.379  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.197  -1.016   2.896  1.00  0.00           H  
HETATM   71  H   UNL     1     -11.434  -1.906   0.170  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.677  -0.775  -0.977  1.00  0.00           H  
HETATM   73  H   UNL     1       5.729   0.722  -1.174  1.00  0.00           H  
HETATM   74  H   UNL     1       4.820   2.056  -0.423  1.00  0.00           H  
HETATM   75  H   UNL     1      17.712   0.571   0.266  1.00  0.00           H  
HETATM   76  H   UNL     1      18.703  -2.146  -1.001  1.00  0.00           H  
HETATM   77  H   UNL     1      14.620   0.229   0.864  1.00  0.00           H  
HETATM   78  H   UNL     1      14.059  -1.460   0.803  1.00  0.00           H  
HETATM   79  H   UNL     1      11.188  -1.814   0.262  1.00  0.00           H  
HETATM   80  H   UNL     1      12.309  -1.441   1.593  1.00  0.00           H  
HETATM   81  H   UNL     1      10.650  -0.796   1.620  1.00  0.00           H  
HETATM   82  H   UNL     1       6.867   0.282   0.984  1.00  0.00           H  
HETATM   83  H   UNL     1       5.958   1.616   1.735  1.00  0.00           H  
HETATM   84  H   UNL     1       1.594   0.943  -1.822  1.00  0.00           H  
HETATM   85  H   UNL     1       2.364   1.904  -0.537  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.943   1.417   0.647  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.105   1.218  -0.911  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.488   0.961  -2.973  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.866   0.033  -3.046  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.404   1.357   0.577  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.259   1.770  -0.928  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.228  -0.511  -1.004  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.373  -0.924   0.502  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.446   1.294   0.182  1.00  0.00           H  
HETATM   95  H   UNL     1     -12.936  -0.115  -1.817  1.00  0.00           H  
HETATM   96  H   UNL     1     -15.384   2.507  -1.219  1.00  0.00           H  
HETATM   97  H   UNL     1     -13.791   2.036  -2.079  1.00  0.00           H  
HETATM   98  H   UNL     1     -15.120  -0.061   1.252  1.00  0.00           H  
HETATM   99  H   UNL     1     -16.035   1.364   0.704  1.00  0.00           H  
HETATM  100  H   UNL     1     -17.063   0.010  -1.101  1.00  0.00           H  
HETATM  101  H   UNL     1     -16.148  -1.415  -0.553  1.00  0.00           H  
HETATM  102  H   UNL     1     -17.262  -1.281   1.658  1.00  0.00           H  
HETATM  103  H   UNL     1     -17.856  -3.409   0.921  1.00  0.00           H  
HETATM  104  H   UNL     1     -19.408  -3.634  -0.098  1.00  0.00           H  
HETATM  105  H   UNL     1     -19.576  -1.033  -1.674  1.00  0.00           H  
HETATM  106  H   UNL     1     -20.753  -1.739  -0.541  1.00  0.00           H  
HETATM  107  H   UNL     1     -20.108  -0.105  -0.251  1.00  0.00           H  
HETATM  108  H   UNL     1       8.179   0.970  -1.239  1.00  0.00           H  
HETATM  109  H   UNL     1       3.811   0.463   1.186  1.00  0.00           H  
HETATM  110  H   UNL     1      -0.655   1.477  -0.874  1.00  0.00           H  
HETATM  111  H   UNL     1      -4.075  -1.052  -1.143  1.00  0.00           H  
HETATM  112  H   UNL     1      -8.592   0.881   1.688  1.00  0.00           H  
HETATM  113  H   UNL     1     -13.693  -1.247  -0.670  1.00  0.00           H  
HETATM  114  H   UNL     1     -18.177   0.144   1.110  1.00  0.00           H  
CONECT    1    2   28    3   46                                       
CONECT    2   27    1   47   48                                       
CONECT    3    4    1   49   50                                       
CONECT    4    7    3   51   52                                       
CONECT    5    6    6   53   54                                       
CONECT    6    5    5   29    7                                       
CONECT    7    6    4   55  108                                       
CONECT    8   20   37   56   57                                       
CONECT    9   21   30   58  109                                       
CONECT   10   30   30   59   60                                       
CONECT   11   12   31   61   62                                       
CONECT   12   11   13   63  110                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13   64   65                                       
CONECT   15   13   32   66   67                                       
CONECT   16   32   17   68  111                                       
CONECT   17   16   34   33   33                                       
CONECT   18   19   19   36   20                                       
CONECT   19   18   18   69   70                                       
CONECT   20   18    8   71   72                                       
CONECT   21   29    9   73   74                                       
CONECT   22   23   75                                                 
CONECT   23   26   26   24   25                                       
CONECT   23   22                                                      
CONECT   24   27   23                                                 
CONECT   25   23   76                                                 
CONECT   26   23   23                                                 
CONECT   27    2   24   77   78                                       
CONECT   28    1   79   80   81                                       
CONECT   29   21    6   82   83                                       
CONECT   30    9   10   10   31                                       
CONECT   31   11   30   84   85                                       
CONECT   32   15   16   86   87                                       
CONECT   33   17   17   88   89                                       
CONECT   34   35   17   90   91                                       
CONECT   35   34   36   92   93                                       
CONECT   36   35   18   94  112                                       
CONECT   37    8   38   95  113                                       
CONECT   38   37   40   39   39                                       
CONECT   39   38   38   96   97                                       
CONECT   40   38   41   98   99                                       
CONECT   41   40   42  100  101                                       
CONECT   42   43   41  102  114                                       
CONECT   43   45   44   44   42                                       
CONECT   44   43   43  103  104                                       
CONECT   45   43  105  106  107                                       
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   21                                                      
CONECT   75   22                                                      
CONECT   76   25                                                      
CONECT   77   27                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   28                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   29                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   32                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   34                                                      
CONECT   92   35                                                      
CONECT   93   35                                                      
CONECT   94   36                                                      
CONECT   95   37                                                      
CONECT   96   39                                                      
CONECT   97   39                                                      
CONECT   98   40                                                      
CONECT   99   40                                                      
CONECT  100   41                                                      
CONECT  101   41                                                      
CONECT  102   42                                                      
CONECT  103   44                                                      
CONECT  104   44                                                      
CONECT  105   45                                                      
CONECT  106   45                                                      
CONECT  107   45                                                      
CONECT  108    7                                                      
CONECT  109    9                                                      
CONECT  110   12                                                      
CONECT  111   16                                                      
CONECT  112   36                                                      
CONECT  113   37                                                      
CONECT  114   42                                                      
MASTER        0    0    0    0    0    0    0    0  114    0  114    0
END
