COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      11.813   2.872   0.010  1.00  0.00           P  
HETATM    2  O   UNL     1       7.789  -2.461   0.189  1.00  0.00           O  
HETATM    3  C   UNL     1       6.677  -1.656   0.583  1.00  0.00           C  
HETATM    4  C   UNL     1       5.457  -2.020  -0.265  1.00  0.00           C  
HETATM    5  C   UNL     1       4.266  -1.158   0.156  1.00  0.00           C  
HETATM    6  N   UNL     1       3.098  -1.508  -0.656  1.00  0.00           N  
HETATM    7  C   UNL     1       1.926  -0.872  -0.460  1.00  0.00           C  
HETATM    8  O   UNL     1       1.837  -0.010   0.391  1.00  0.00           O  
HETATM    9  O   UNL     1       0.853  -1.193  -1.207  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.377  -0.468  -0.940  1.00  0.00           C  
HETATM   11  C   UNL     1       8.986  -2.198   0.925  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.187  -1.211   0.126  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.519  -0.500   0.298  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.330  -0.222  -0.932  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.450   0.475  -1.974  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.198  -0.367  -2.227  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.772  -1.561  -1.525  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.890  -0.172   1.501  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.179   0.540   1.793  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.194   0.221   0.689  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.572   0.609  -0.660  1.00  0.00           C  
HETATM   22  C   UNL     1      10.087  -3.193   0.507  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.563   0.447  -1.809  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.872   1.207  -1.544  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.439   0.680  -0.239  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.447   1.052   0.896  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.574  -0.842  -0.309  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.257   0.735   2.158  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.674   1.261   1.802  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.750   1.301   0.232  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.935   0.449  -0.227  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.027   0.483  -1.753  1.00  0.00           C  
HETATM   33  C   UNL     1      11.237  -2.293  -0.005  1.00  0.00           C  
HETATM   34  O   UNL     1      12.505  -2.785   0.436  1.00  0.00           O  
HETATM   35  C   UNL     1     -11.227   1.006   0.375  1.00  0.00           C  
HETATM   36  C   UNL     1     -12.394   0.083   0.020  1.00  0.00           C  
HETATM   37  C   UNL     1     -13.686   0.639   0.622  1.00  0.00           C  
HETATM   38  C   UNL     1     -14.853  -0.284   0.266  1.00  0.00           C  
HETATM   39  C   UNL     1     -14.649  -1.645   0.934  1.00  0.00           C  
HETATM   40  C   UNL     1     -16.162   0.336   0.760  1.00  0.00           C  
HETATM   41  C   UNL     1      10.909  -0.934   0.663  1.00  0.00           C  
HETATM   42  O   UNL     1       9.465  -0.877   0.624  1.00  0.00           O  
HETATM   43  C   UNL     1      11.519   0.220  -0.135  1.00  0.00           C  
HETATM   44  O   UNL     1      11.302   1.449   0.562  1.00  0.00           O  
HETATM   45  O   UNL     1      11.041   3.226  -1.358  1.00  0.00           O  
HETATM   46  O   UNL     1      11.512   4.012   1.107  1.00  0.00           O  
HETATM   47  H   UNL     1       3.168  -2.196  -1.336  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.138   0.533  -0.582  1.00  0.00           H  
HETATM   49  H   UNL     1      10.415  -3.781   1.365  1.00  0.00           H  
HETATM   50  H   UNL     1      12.590   0.054  -0.253  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.359  -2.239  -0.194  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.111   0.827  -2.725  1.00  0.00           H  
HETATM   53  H   UNL     1     -11.127   1.064   1.459  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.643  -1.207   1.070  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.787  -0.612  -1.938  1.00  0.00           H  
HETATM   56  H   UNL     1     -11.415   2.001  -0.027  1.00  0.00           H  
HETATM   57  H   UNL     1       8.792  -2.287   1.993  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.671   2.275  -1.458  1.00  0.00           H  
HETATM   59  H   UNL     1     -12.494   0.024  -1.064  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.577   1.026  -2.355  1.00  0.00           H  
HETATM   61  H   UNL     1     -12.206  -0.913   0.422  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.242  -0.423   2.327  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.439  -0.841   0.699  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.280   1.658  -0.614  1.00  0.00           H  
HETATM   65  H   UNL     1       9.729  -3.846  -0.289  1.00  0.00           H  
HETATM   66  H   UNL     1       6.454  -1.834   1.635  1.00  0.00           H  
HETATM   67  H   UNL     1     -13.586   0.698   1.705  1.00  0.00           H  
HETATM   68  H   UNL     1       6.920  -0.603   0.437  1.00  0.00           H  
HETATM   69  H   UNL     1     -13.874   1.635   0.220  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.209   2.114   0.842  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.845   2.318  -0.150  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.793  -0.579   0.106  1.00  0.00           H  
HETATM   73  H   UNL     1      11.211  -2.210  -1.092  1.00  0.00           H  
HETATM   74  H   UNL     1       5.680  -1.842  -1.317  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.007   0.587  -2.905  1.00  0.00           H  
HETATM   76  H   UNL     1       5.214  -3.073  -0.119  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.159   1.458  -1.605  1.00  0.00           H  
HETATM   78  H   UNL     1     -14.898  -0.413  -0.815  1.00  0.00           H  
HETATM   79  H   UNL     1      11.264  -0.917   1.693  1.00  0.00           H  
HETATM   80  H   UNL     1       4.043  -1.336   1.208  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.597   0.101  -3.005  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.970  -1.215   0.636  1.00  0.00           H  
HETATM   83  H   UNL     1     -15.481  -2.302   0.681  1.00  0.00           H  
HETATM   84  H   UNL     1       4.509  -0.106   0.010  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.492  -1.366  -2.549  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.254  -1.109  -1.118  1.00  0.00           H  
HETATM   87  H   UNL     1     -13.717  -2.086   0.582  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.596  -1.286  -0.494  1.00  0.00           H  
HETATM   89  H   UNL     1     -14.604  -1.515   2.016  1.00  0.00           H  
HETATM   90  H   UNL     1      11.049   0.272  -1.117  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.893  -2.154  -1.780  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.279  -0.339   2.342  1.00  0.00           H  
HETATM   93  H   UNL     1     -16.308   1.306   0.284  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.374  -2.101  -0.793  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.851   1.264   3.020  1.00  0.00           H  
HETATM   96  H   UNL     1     -16.994  -0.322   0.507  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.364  -1.384  -2.422  1.00  0.00           H  
HETATM   98  H   UNL     1     -16.117   0.465   1.842  1.00  0.00           H  
HETATM   99  H   UNL     1      -9.434   0.601   2.220  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.805   2.273   2.187  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.570   0.206   2.754  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.002   1.615   1.826  1.00  0.00           H  
HETATM  103  H   UNL     1      -9.134   0.028  -2.182  1.00  0.00           H  
HETATM  104  H   UNL     1     -10.908  -0.072  -2.076  1.00  0.00           H  
HETATM  105  H   UNL     1     -10.105   1.517  -2.090  1.00  0.00           H  
HETATM  106  H   UNL     1      12.715  -3.673   0.116  1.00  0.00           H  
HETATM  107  H   UNL     1      10.080   3.284  -1.263  1.00  0.00           H  
HETATM  108  H   UNL     1      11.794   4.898   0.841  1.00  0.00           H  
HETATM  109  O   UNL     1      13.269   2.808  -0.247  1.00  0.00           O  
CONECT    1   44   45   46  109                                       
CONECT    1  109                                                      
CONECT    2   11    3                                                 
CONECT    3    2    4   68   66                                       
CONECT    4    3   76    5   74                                       
CONECT    5    4   84    6   80                                       
CONECT    6    5    7   47                                            
CONECT    7    6    9    8    8                                       
CONECT    8    7    7                                                 
CONECT    9    7   10                                                 
CONECT   10    9   48   12   16                                       
CONECT   11    2   57   22   42                                       
CONECT   12   10   51   13   54                                       
CONECT   13   12   18   18   14                                       
CONECT   14   13   21   15   17                                       
CONECT   15   14   77   16   75                                       
CONECT   16   10   15   81   85                                       
CONECT   17   14   94   91   97                                       
CONECT   18   13   13   62   19                                       
CONECT   19   18  101  102   20                                       
CONECT   20   19   63   26   21                                       
CONECT   21   14   20   64   23                                       
CONECT   22   11   33   49   65                                       
CONECT   23   21   24   52   55                                       
CONECT   24   23   60   25   58                                       
CONECT   25   24   26   30   27                                       
CONECT   26   20   25   28   70                                       
CONECT   27   25   88   82   86                                       
CONECT   28   26   92   29   95                                       
CONECT   29   28   99  100   30                                       
CONECT   30   25   29   31   71                                       
CONECT   31   30   72   35   32                                       
CONECT   32   31  103  104  105                                       
CONECT   33   22   34   41   73                                       
CONECT   34   33  106                                                 
CONECT   35   31   53   36   56                                       
CONECT   36   35   37   61   59                                       
CONECT   37   36   38   67   69                                       
CONECT   38   37   39   78   40                                       
CONECT   39   38   89   83   87                                       
CONECT   40   38   93   96   98                                       
CONECT   41   33   79   42   43                                       
CONECT   42   11   41                                                 
CONECT   43   41   50   44   90                                       
CONECT   44    1   43                                                 
CONECT   45    1  107                                                 
CONECT   46    1  108                                                 
CONECT   47    6                                                      
CONECT   48   10                                                      
CONECT   49   22                                                      
CONECT   50   43                                                      
CONECT   51   12                                                      
CONECT   52   23                                                      
CONECT   53   35                                                      
CONECT   54   12                                                      
CONECT   55   23                                                      
CONECT   56   35                                                      
CONECT   57   11                                                      
CONECT   58   24                                                      
CONECT   59   36                                                      
CONECT   60   24                                                      
CONECT   61   36                                                      
CONECT   62   18                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66    3                                                      
CONECT   67   37                                                      
CONECT   68    3                                                      
CONECT   69   37                                                      
CONECT   70   26                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   33                                                      
CONECT   74    4                                                      
CONECT   75   15                                                      
CONECT   76    4                                                      
CONECT   77   15                                                      
CONECT   78   38                                                      
CONECT   79   41                                                      
CONECT   80    5                                                      
CONECT   81   16                                                      
CONECT   82   27                                                      
CONECT   83   39                                                      
CONECT   84    5                                                      
CONECT   85   16                                                      
CONECT   86   27                                                      
CONECT   87   39                                                      
CONECT   88   27                                                      
CONECT   89   39                                                      
CONECT   90   43                                                      
CONECT   91   17                                                      
CONECT   92   28                                                      
CONECT   93   40                                                      
CONECT   94   17                                                      
CONECT   95   28                                                      
CONECT   96   40                                                      
CONECT   97   17                                                      
CONECT   98   40                                                      
CONECT   99   29                                                      
CONECT  100   29                                                      
CONECT  101   19                                                      
CONECT  102   19                                                      
CONECT  103   32                                                      
CONECT  104   32                                                      
CONECT  105   32                                                      
CONECT  106   34                                                      
CONECT  107   45                                                      
CONECT  108   46                                                      
CONECT  109    1    1                                                 
MASTER        0    0    0    0    0    0    0    0  109    0  109    0
END
