COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.860   2.998  -2.360  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.555   2.085  -3.372  1.00  0.00           C  
HETATM    3  C   UNL     1       0.818   0.192   1.714  1.00  0.00           C  
HETATM    4  C   UNL     1       1.851  -0.437   0.815  1.00  0.00           C  
HETATM    5  C   UNL     1       3.244   0.046   1.223  1.00  0.00           C  
HETATM    6  C   UNL     1       4.293  -0.592   0.310  1.00  0.00           C  
HETATM    7  C   UNL     1       5.686  -0.109   0.718  1.00  0.00           C  
HETATM    8  C   UNL     1       6.735  -0.748  -0.194  1.00  0.00           C  
HETATM    9  C   UNL     1       8.128  -0.265   0.214  1.00  0.00           C  
HETATM   10  C   UNL     1       9.177  -0.904  -0.699  1.00  0.00           C  
HETATM   11  C   UNL     1      10.571  -0.421  -0.291  1.00  0.00           C  
HETATM   12  C   UNL     1      11.619  -1.059  -1.203  1.00  0.00           C  
HETATM   13  C   UNL     1      13.012  -0.576  -0.795  1.00  0.00           C  
HETATM   14  C   UNL     1      15.455  -0.732  -1.300  1.00  0.00           C  
HETATM   15  N   UNL     1      -6.532   1.236  -2.676  1.00  0.00           N  
HETATM   16  O   UNL     1      -4.810  -1.794   2.400  1.00  0.00           O  
HETATM   17  C   UNL     1     -10.434  -4.561  -1.650  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.870   1.890   1.847  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.236  -3.649  -1.923  1.00  0.00           C  
HETATM   20  C   UNL     1      14.061  -1.215  -1.708  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.436  -3.458  -0.633  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.238  -2.546  -0.907  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.437  -2.355   0.383  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.240  -1.443   0.110  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.451  -1.255   1.380  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.640  -0.351   2.639  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.422   0.554   2.442  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.350  -0.487   1.379  1.00  0.00           O  
HETATM   29  O   UNL     1      -2.603   1.653   0.643  1.00  0.00           O  
HETATM   30  O   UNL     1      -4.100   3.685   0.593  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.037   3.734  -0.861  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.093   2.205  -1.452  1.00  0.00           O  
HETATM   33  O   UNL     1      -0.483  -0.088   1.540  1.00  0.00           O  
HETATM   34  O   UNL     1       1.161   0.950   2.591  1.00  0.00           O  
HETATM   35  P   UNL     1      -3.227   2.838  -0.251  1.00  0.00           P  
HETATM   36  H   UNL     1      -4.201   3.688  -2.886  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.609   3.563  -1.806  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.068   2.693  -4.117  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.813   1.456  -3.864  1.00  0.00           H  
HETATM   40  H   UNL     1       1.801  -1.521   0.908  1.00  0.00           H  
HETATM   41  H   UNL     1       1.656  -0.151  -0.219  1.00  0.00           H  
HETATM   42  H   UNL     1       3.294   1.131   1.130  1.00  0.00           H  
HETATM   43  H   UNL     1       3.440  -0.239   2.257  1.00  0.00           H  
HETATM   44  H   UNL     1       4.243  -1.677   0.403  1.00  0.00           H  
HETATM   45  H   UNL     1       4.098  -0.307  -0.723  1.00  0.00           H  
HETATM   46  H   UNL     1       5.736   0.976   0.626  1.00  0.00           H  
HETATM   47  H   UNL     1       5.882  -0.395   1.752  1.00  0.00           H  
HETATM   48  H   UNL     1       6.685  -1.833  -0.102  1.00  0.00           H  
HETATM   49  H   UNL     1       6.540  -0.462  -1.228  1.00  0.00           H  
HETATM   50  H   UNL     1       8.178   0.820   0.121  1.00  0.00           H  
HETATM   51  H   UNL     1       8.324  -0.551   1.247  1.00  0.00           H  
HETATM   52  H   UNL     1       9.127  -1.988  -0.606  1.00  0.00           H  
HETATM   53  H   UNL     1       8.982  -0.618  -1.732  1.00  0.00           H  
HETATM   54  H   UNL     1      10.620   0.664  -0.383  1.00  0.00           H  
HETATM   55  H   UNL     1      10.766  -0.706   0.743  1.00  0.00           H  
HETATM   56  H   UNL     1      11.569  -2.144  -1.111  1.00  0.00           H  
HETATM   57  H   UNL     1      11.424  -0.774  -2.237  1.00  0.00           H  
HETATM   58  H   UNL     1      13.062   0.509  -0.888  1.00  0.00           H  
HETATM   59  H   UNL     1      13.208  -0.862   0.238  1.00  0.00           H  
HETATM   60  H   UNL     1      15.505   0.353  -1.392  1.00  0.00           H  
HETATM   61  H   UNL     1      15.650  -1.018  -0.266  1.00  0.00           H  
HETATM   62  H   UNL     1      16.202  -1.187  -1.950  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.005   0.624  -3.323  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.091   0.710  -1.936  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.080  -5.529  -1.295  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.071  -4.106  -0.891  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.004  -4.697  -2.569  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.504   2.412   2.562  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.994   2.500   1.624  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.599  -4.103  -2.682  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.590  -2.681  -2.278  1.00  0.00           H  
HETATM   72  H   UNL     1      14.011  -2.300  -1.615  1.00  0.00           H  
HETATM   73  H   UNL     1      13.866  -0.929  -2.741  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.072  -3.003   0.126  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.082  -4.426  -0.279  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.601  -3.000  -1.666  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.592  -1.578  -1.261  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.074  -1.900   1.142  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.083  -3.323   0.738  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.603  -1.897  -0.649  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.594  -0.475  -0.245  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.313  -1.333   2.979  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.303   0.089   3.384  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.940   0.728   3.405  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.425   3.242  -1.426  1.00  0.00           H  
CONECT    1    2   32   36   37                                       
CONECT    2   15    1   38   39                                       
CONECT    3   33   34   34    4                                       
CONECT    4    3    5   40   41                                       
CONECT    5    4    6   42   43                                       
CONECT    6    5    7   44   45                                       
CONECT    7    6    8   46   47                                       
CONECT    8    7    9   48   49                                       
CONECT    9    8   10   50   51                                       
CONECT   10    9   11   52   53                                       
CONECT   11   10   12   54   55                                       
CONECT   12   11   13   56   57                                       
CONECT   13   12   20   58   59                                       
CONECT   14   20   60   61   62                                       
CONECT   15    2   63   64                                            
CONECT   16   25   25                                                 
CONECT   17   19   65   66   67                                       
CONECT   18   29   27   68   69                                       
CONECT   19   21   17   70   71                                       
CONECT   20   13   14   72   73                                       
CONECT   21   22   19   74   75                                       
CONECT   22   23   21   76   77                                       
CONECT   23   24   22   78   79                                       
CONECT   24   25   23   80   81                                       
CONECT   25   28   16   16   24                                       
CONECT   26   27   28   82   83                                       
CONECT   27   18   26   33   84                                       
CONECT   28   26   25                                                 
CONECT   29   35   18                                                 
CONECT   30   35   35                                                 
CONECT   31   35   85                                                 
CONECT   32    1   35                                                 
CONECT   33   27    3                                                 
CONECT   34    3    3                                                 
CONECT   35   32   30   30   31                                       
CONECT   35   29                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   20                                                      
CONECT   74   21                                                      
CONECT   75   21                                                      
CONECT   76   22                                                      
CONECT   77   22                                                      
CONECT   78   23                                                      
CONECT   79   23                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   26                                                      
CONECT   83   26                                                      
CONECT   84   27                                                      
CONECT   85   31                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
