COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.029  -0.286  -0.693  1.00  0.00           C  
HETATM    2  C   UNL     1       5.427  -0.232  -0.266  1.00  0.00           C  
HETATM    3  C   UNL     1       4.989  -3.432   0.377  1.00  0.00           C  
HETATM    4  C   UNL     1       3.096  -4.647  -0.442  1.00  0.00           C  
HETATM    5  C   UNL     1       3.982  -2.817  -1.706  1.00  0.00           C  
HETATM    6  C   UNL     1       8.705   1.681   0.236  1.00  0.00           C  
HETATM    7  C   UNL     1       9.314   1.867   1.627  1.00  0.00           C  
HETATM    8  C   UNL     1       9.487   4.345   1.355  1.00  0.00           C  
HETATM    9  O   UNL     1       2.920  -1.113   0.187  1.00  0.00           O  
HETATM   10  C   UNL     1       1.808   0.183  -1.442  1.00  0.00           C  
HETATM   11  C   UNL     1       0.589  -0.525  -0.909  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.447   0.176  -0.474  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.643  -0.518   0.050  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.784   0.060   0.532  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.595  -0.959   0.895  1.00  0.00           N  
HETATM   16  C   UNL     1      -4.936  -0.823   1.469  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.935  -1.614   0.623  1.00  0.00           C  
HETATM   18  O   UNL     1      -7.243  -1.482   1.183  1.00  0.00           O  
HETATM   19  C   UNL     1      -8.257  -2.187   0.465  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.991  -2.068   0.651  1.00  0.00           N  
HETATM   21  N   UNL     1      -1.830  -1.848   0.143  1.00  0.00           N  
HETATM   22  N   UNL     1       4.241   0.219  -0.998  1.00  0.00           N  
HETATM   23  C   UNL     1       5.963  -1.515  -0.904  1.00  0.00           C  
HETATM   24  C   UNL     1       4.951  -2.619  -0.740  1.00  0.00           C  
HETATM   25  C   UNL     1       3.053  -3.830  -1.556  1.00  0.00           C  
HETATM   26  C   UNL     1       4.063  -4.448   0.525  1.00  0.00           C  
HETATM   27  C   UNL     1       6.488   0.837  -0.320  1.00  0.00           C  
HETATM   28  O   UNL     1       6.274   1.874  -0.913  1.00  0.00           O  
HETATM   29  N   UNL     1       7.674   0.642   0.289  1.00  0.00           N  
HETATM   30  C   UNL     1      10.275   3.058   1.608  1.00  0.00           C  
HETATM   31  C   UNL     1      10.992   3.156   2.956  1.00  0.00           C  
HETATM   32  B   UNL     1       9.828   1.254  -0.775  1.00  0.00           B  
HETATM   33  O   UNL     1       9.488   0.533  -1.950  1.00  0.00           O  
HETATM   34  O   UNL     1      11.183   1.587  -0.513  1.00  0.00           O  
HETATM   35  H   UNL     1       5.161  -0.426   0.773  1.00  0.00           H  
HETATM   36  H   UNL     1       5.746  -3.277   1.132  1.00  0.00           H  
HETATM   37  H   UNL     1       2.373  -5.441  -0.327  1.00  0.00           H  
HETATM   38  H   UNL     1       3.952  -2.182  -2.579  1.00  0.00           H  
HETATM   39  H   UNL     1       8.258   2.620  -0.093  1.00  0.00           H  
HETATM   40  H   UNL     1       8.520   2.052   2.350  1.00  0.00           H  
HETATM   41  H   UNL     1       9.858   0.965   1.908  1.00  0.00           H  
HETATM   42  H   UNL     1       8.752   4.483   2.148  1.00  0.00           H  
HETATM   43  H   UNL     1      10.172   5.193   1.341  1.00  0.00           H  
HETATM   44  H   UNL     1       8.976   4.275   0.394  1.00  0.00           H  
HETATM   45  H   UNL     1       1.691   1.258  -1.310  1.00  0.00           H  
HETATM   46  H   UNL     1       1.924  -0.042  -2.503  1.00  0.00           H  
HETATM   47  H   UNL     1       0.561  -1.605  -0.881  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.419   1.256  -0.501  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.995   1.117   0.608  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.936  -1.209   2.488  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.221   0.229   1.479  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.935  -1.228  -0.396  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.650  -2.666   0.613  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.306  -1.812  -0.558  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.020  -3.251   0.451  1.00  0.00           H  
HETATM   56  H   UNL     1       4.328   0.880  -1.702  1.00  0.00           H  
HETATM   57  H   UNL     1       6.146  -1.344  -1.965  1.00  0.00           H  
HETATM   58  H   UNL     1       6.895  -1.801  -0.416  1.00  0.00           H  
HETATM   59  H   UNL     1       2.297  -3.985  -2.311  1.00  0.00           H  
HETATM   60  H   UNL     1       4.096  -5.086   1.395  1.00  0.00           H  
HETATM   61  H   UNL     1       7.845  -0.187   0.763  1.00  0.00           H  
HETATM   62  H   UNL     1      11.010   2.919   0.815  1.00  0.00           H  
HETATM   63  H   UNL     1      10.257   3.294   3.749  1.00  0.00           H  
HETATM   64  H   UNL     1      11.553   2.239   3.137  1.00  0.00           H  
HETATM   65  H   UNL     1      11.676   4.004   2.943  1.00  0.00           H  
HETATM   66  H   UNL     1      10.245   0.315  -2.510  1.00  0.00           H  
HETATM   67  H   UNL     1      11.801   1.282  -1.191  1.00  0.00           H  
HETATM   68  C   UNL     1      -9.609  -1.975   1.150  1.00  0.00           C  
HETATM   69  O   UNL     1      -9.975  -0.596   1.065  1.00  0.00           O  
HETATM   70  C   UNL     1     -11.229  -0.289   1.678  1.00  0.00           C  
HETATM   71  C   UNL     1     -11.517   1.206   1.527  1.00  0.00           C  
HETATM   72  O   UNL     1     -11.685   1.522   0.143  1.00  0.00           O  
HETATM   73  C   UNL     1     -11.960   2.901  -0.109  1.00  0.00           C  
HETATM   74  C   UNL     1     -12.118   3.119  -1.592  1.00  0.00           C  
HETATM   75  O   UNL     1     -12.383   4.347  -2.065  1.00  0.00           O  
HETATM   76  O   UNL     1     -12.007   2.188  -2.354  1.00  0.00           O  
HETATM   77  H   UNL     1     -10.366  -2.583   0.655  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.535  -2.267   2.197  1.00  0.00           H  
HETATM   79  H   UNL     1     -12.020  -0.862   1.194  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.189  -0.546   2.736  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.428   1.457   2.070  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.683   1.780   1.932  1.00  0.00           H  
HETATM   83  H   UNL     1     -12.881   3.187   0.400  1.00  0.00           H  
HETATM   84  H   UNL     1     -11.136   3.510   0.262  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.476   4.437  -3.024  1.00  0.00           H  
CONECT    1   10    9    9   22                                       
CONECT    2   22   23   27   35                                       
CONECT    3   24   24   26   36                                       
CONECT    4   25   26   26   37                                       
CONECT    5   25   25   24   38                                       
CONECT    6   29    7   32   39                                       
CONECT    7   30    6   40   41                                       
CONECT    8   30   42   43   44                                       
CONECT    9    1    1                                                 
CONECT   10   11    1   45   46                                       
CONECT   11   12   12   10   47                                       
CONECT   12   13   11   11   48                                       
CONECT   13   21   14   14   12                                       
CONECT   14   15   13   13   49                                       
CONECT   15   20   16   14                                            
CONECT   16   15   17   50   51                                       
CONECT   17   16   18   52   53                                       
CONECT   18   17   19                                                 
CONECT   19   18   54   55   68                                       
CONECT   20   21   21   15                                            
CONECT   21   20   20   13                                            
CONECT   22    1    2   56                                            
CONECT   23   24    2   57   58                                       
CONECT   24    5   23    3    3                                       
CONECT   25    5    5    4   59                                       
CONECT   26    4    4    3   60                                       
CONECT   27    2   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27    6   61                                            
CONECT   30   31    8    7   62                                       
CONECT   31   30   63   64   65                                       
CONECT   32    6   34   33                                            
CONECT   33   32   66                                                 
CONECT   34   32   67                                                 
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   14                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   19   69   77   78                                       
CONECT   69   68   70                                                 
CONECT   70   69   71   79   80                                       
CONECT   71   70   72   81   82                                       
CONECT   72   71   73                                                 
CONECT   73   72   74   83   84                                       
CONECT   74   73   75   76   76                                       
CONECT   75   74   85                                                 
CONECT   76   74   74                                                 
CONECT   77   68                                                      
CONECT   78   68                                                      
CONECT   79   70                                                      
CONECT   80   70                                                      
CONECT   81   71                                                      
CONECT   82   71                                                      
CONECT   83   73                                                      
CONECT   84   73                                                      
CONECT   85   75                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
