COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       0.918   3.592  -1.303  1.00  0.00           P  
HETATM    2  N   UNL     1      -7.810   1.373   1.009  1.00  0.00           N  
HETATM    3  C   UNL     1      -8.617   1.848   1.956  1.00  0.00           C  
HETATM    4  O   UNL     1      -8.627   3.052   2.147  1.00  0.00           O  
HETATM    5  N   UNL     1      -9.420   1.085   2.711  1.00  0.00           N  
HETATM    6  C   UNL     1      -9.463  -0.258   2.556  1.00  0.00           C  
HETATM    7  O   UNL     1     -10.190  -0.952   3.240  1.00  0.00           O  
HETATM    8  N   UNL     1      -8.548  -2.132   1.282  1.00  0.00           N  
HETATM    9  C   UNL     1      -7.719  -4.022   0.101  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.907  -4.542  -0.857  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.082  -3.704  -1.626  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.493  -3.564  -3.324  1.00  0.00           O  
HETATM   13  C   UNL     1      -6.088  -2.329  -1.414  1.00  0.00           C  
HETATM   14  P   UNL     1       3.825   3.627  -0.726  1.00  0.00           P  
HETATM   15  C   UNL     1      -6.069   0.466  -1.016  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.743   0.081   0.742  1.00  0.00           C  
HETATM   17  N   UNL     1      -6.923  -0.421  -0.222  1.00  0.00           N  
HETATM   18  N   UNL     1       8.826  -5.566   0.885  1.00  0.00           N  
HETATM   19  O   UNL     1       4.148   3.371  -2.147  1.00  0.00           O  
HETATM   20  C   UNL     1       7.363  -0.591   1.177  1.00  0.00           C  
HETATM   21  O   UNL     1       1.134   3.220  -2.719  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.717   0.630  -0.319  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.915   1.194   0.979  1.00  0.00           O  
HETATM   24  C   UNL     1       9.105  -4.677   1.821  1.00  0.00           C  
HETATM   25  O   UNL     1       4.136   5.168  -0.375  1.00  0.00           O  
HETATM   26  C   UNL     1       8.641   0.211   0.823  1.00  0.00           C  
HETATM   27  O   UNL     1       9.746  -0.210   1.626  1.00  0.00           O  
HETATM   28  O   UNL     1       0.534   5.153  -1.211  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.825   1.556  -1.148  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.627   0.992  -2.445  1.00  0.00           O  
HETATM   31  N   UNL     1       8.666  -3.437   1.771  1.00  0.00           N  
HETATM   32  C   UNL     1       8.223   1.660   1.174  1.00  0.00           C  
HETATM   33  O   UNL     1       8.701   2.017   2.472  1.00  0.00           O  
HETATM   34  O   UNL     1       2.266   3.321  -0.465  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.473   1.720  -0.451  1.00  0.00           C  
HETATM   36  O   UNL     1      -2.671   2.285   0.847  1.00  0.00           O  
HETATM   37  C   UNL     1       7.911  -3.026   0.758  1.00  0.00           C  
HETATM   38  C   UNL     1       6.683   1.623   1.157  1.00  0.00           C  
HETATM   39  O   UNL     1       6.291   0.292   0.780  1.00  0.00           O  
HETATM   40  C   UNL     1      -8.586  -0.847   1.517  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.581   2.647  -1.280  1.00  0.00           C  
HETATM   42  O   UNL     1      -0.280   2.708  -0.691  1.00  0.00           O  
HETATM   43  C   UNL     1       7.586  -3.934  -0.264  1.00  0.00           C  
HETATM   44  C   UNL     1       6.150   2.630   0.136  1.00  0.00           C  
HETATM   45  O   UNL     1       4.723   2.673   0.209  1.00  0.00           O  
HETATM   46  C   UNL     1      -7.741  -2.632   0.334  1.00  0.00           C  
HETATM   47  C   UNL     1       8.078  -5.247  -0.167  1.00  0.00           C  
HETATM   48  N   UNL     1       7.792  -6.185  -1.143  1.00  0.00           N  
HETATM   49  N   UNL     1       6.818  -3.269  -1.160  1.00  0.00           N  
HETATM   50  C   UNL     1      -6.892  -6.030  -1.098  1.00  0.00           C  
HETATM   51  C   UNL     1       6.655  -2.040  -0.763  1.00  0.00           C  
HETATM   52  C   UNL     1      -5.206  -4.285  -2.660  1.00  0.00           C  
HETATM   53  C   UNL     1      -6.915  -1.785  -0.435  1.00  0.00           C  
HETATM   54  N   UNL     1       7.310  -1.841   0.415  1.00  0.00           N  
HETATM   55  H   UNL     1      -9.980   1.505   3.383  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.349  -4.676   0.685  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.453  -1.686  -2.006  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.918   0.035  -2.006  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.548   1.440  -1.112  1.00  0.00           H  
HETATM   60  H   UNL     1       7.319  -0.790   2.248  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.238  -0.345  -0.222  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.338   2.064   0.969  1.00  0.00           H  
HETATM   63  H   UNL     1       9.716  -4.979   2.659  1.00  0.00           H  
HETATM   64  H   UNL     1       8.877   0.119  -0.237  1.00  0.00           H  
HETATM   65  H   UNL     1      10.569   0.263   1.442  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.304   2.531  -1.245  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.204   0.123  -2.436  1.00  0.00           H  
HETATM   68  H   UNL     1       8.599   2.357   0.425  1.00  0.00           H  
HETATM   69  H   UNL     1       9.664   2.000   2.556  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.994   0.746  -0.354  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.094   3.154   0.837  1.00  0.00           H  
HETATM   72  H   UNL     1       6.295   1.857   2.148  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.503   2.262  -2.296  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.017   3.646  -1.302  1.00  0.00           H  
HETATM   75  H   UNL     1       6.555   3.618   0.355  1.00  0.00           H  
HETATM   76  H   UNL     1       6.453   2.327  -0.866  1.00  0.00           H  
HETATM   77  H   UNL     1       8.138  -7.088  -1.064  1.00  0.00           H  
HETATM   78  H   UNL     1       7.245  -5.940  -1.905  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.640  -6.283  -1.849  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.906  -6.331  -1.450  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.121  -6.550  -0.168  1.00  0.00           H  
HETATM   82  H   UNL     1       6.086  -1.289  -1.290  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.200  -5.352  -2.826  1.00  0.00           H  
HETATM   84  H   UNL     1       3.947   5.408   0.543  1.00  0.00           H  
HETATM   85  H   UNL     1       0.378   5.467  -0.310  1.00  0.00           H  
CONECT    1   21   21   28   34                                       
CONECT    1   42                                                      
CONECT    2    3   16   16                                            
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   55                                            
CONECT    6    5    7    7   40                                       
CONECT    7    6    6                                                 
CONECT    8   40   40   46                                            
CONECT    9   10   10   46   56                                       
CONECT   10    9    9   11   50                                       
CONECT   11   10   13   13   52                                       
CONECT   12   52   52                                                 
CONECT   13   11   11   53   57                                       
CONECT   14   19   19   25   34                                       
CONECT   14   45                                                      
CONECT   15   17   22   58   59                                       
CONECT   16    2    2   17   40                                       
CONECT   17   15   16   53                                            
CONECT   18   24   24   47                                            
CONECT   19   14   14                                                 
CONECT   20   26   39   54   60                                       
CONECT   21    1    1                                                 
CONECT   22   15   23   29   61                                       
CONECT   23   22   62                                                 
CONECT   24   18   18   31   63                                       
CONECT   25   14   84                                                 
CONECT   26   20   27   32   64                                       
CONECT   27   26   65                                                 
CONECT   28    1   85                                                 
CONECT   29   22   30   35   66                                       
CONECT   30   29   67                                                 
CONECT   31   24   37   37                                            
CONECT   32   26   33   38   68                                       
CONECT   33   32   69                                                 
CONECT   34    1   14                                                 
CONECT   35   29   36   41   70                                       
CONECT   36   35   71                                                 
CONECT   37   31   31   43   54                                       
CONECT   38   32   39   44   72                                       
CONECT   39   20   38                                                 
CONECT   40    6    8    8   16                                       
CONECT   41   35   42   73   74                                       
CONECT   42    1   41                                                 
CONECT   43   37   47   47   49                                       
CONECT   44   38   45   75   76                                       
CONECT   45   14   44                                                 
CONECT   46    8    9   53   53                                       
CONECT   47   18   43   43   48                                       
CONECT   48   47   77   78                                            
CONECT   49   43   51   51                                            
CONECT   50   10   79   80   81                                       
CONECT   51   49   49   54   82                                       
CONECT   52   11   12   12   83                                       
CONECT   53   13   17   46   46                                       
CONECT   54   20   37   51                                            
CONECT   55    5                                                      
CONECT   56    9                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   20                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   38                                                      
CONECT   73   41                                                      
CONECT   74   41                                                      
CONECT   75   44                                                      
CONECT   76   44                                                      
CONECT   77   48                                                      
CONECT   78   48                                                      
CONECT   79   50                                                      
CONECT   80   50                                                      
CONECT   81   50                                                      
CONECT   82   51                                                      
CONECT   83   52                                                      
CONECT   84   25                                                      
CONECT   85   28                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
