COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.020  -1.822  -0.581  1.00  0.00           O  
HETATM    2  C   UNL     1       2.581  -1.556   0.464  1.00  0.00           C  
HETATM    3  C   UNL     1       3.526  -2.523   1.063  1.00  0.00           C  
HETATM    4  C   UNL     1       3.777  -3.741   0.430  1.00  0.00           C  
HETATM    5  C   UNL     1       4.661  -4.638   0.994  1.00  0.00           C  
HETATM    6  C   UNL     1       5.297  -4.333   2.184  1.00  0.00           C  
HETATM    7  C   UNL     1       5.052  -3.127   2.816  1.00  0.00           C  
HETATM    8  C   UNL     1       4.176  -2.218   2.260  1.00  0.00           C  
HETATM    9  N   UNL     1       2.345  -0.378   1.075  1.00  0.00           N  
HETATM   10  C   UNL     1       1.412   0.582   0.479  1.00  0.00           C  
HETATM   11  C   UNL     1       1.910   0.979  -0.913  1.00  0.00           C  
HETATM   12  C   UNL     1       3.217   1.719  -0.786  1.00  0.00           C  
HETATM   13  C   UNL     1       3.222   3.093  -0.639  1.00  0.00           C  
HETATM   14  C   UNL     1       4.420   3.771  -0.518  1.00  0.00           C  
HETATM   15  C   UNL     1       5.614   3.075  -0.544  1.00  0.00           C  
HETATM   16  C   UNL     1       6.921   3.813  -0.412  1.00  0.00           C  
HETATM   17  N   UNL     1       7.289   3.907   1.007  1.00  0.00           N  
HETATM   18  C   UNL     1       5.609   1.700  -0.690  1.00  0.00           C  
HETATM   19  C   UNL     1       4.410   1.022  -0.812  1.00  0.00           C  
HETATM   20  C   UNL     1       0.048  -0.048   0.363  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.066  -1.255   0.389  1.00  0.00           O  
HETATM   22  N   UNL     1      -1.044   0.730   0.232  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.371   0.117   0.119  1.00  0.00           C  
HETATM   24  B   UNL     1      -2.862   0.203  -1.369  1.00  0.00           B  
HETATM   25  O   UNL     1      -2.224  -0.362  -2.515  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.243  -0.575  -3.508  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.541  -0.038  -2.864  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.045   0.859  -1.846  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.354   0.861   1.025  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.739   0.221   0.908  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.723   0.965   1.814  1.00  0.00           C  
HETATM   32  N   UNL     1      -7.049   0.352   1.702  1.00  0.00           N  
HETATM   33  C   UNL     1      -8.102   0.855   2.429  1.00  0.00           C  
HETATM   34  N   UNL     1      -9.346   0.280   2.324  1.00  0.00           N  
HETATM   35  N   UNL     1      -7.920   1.876   3.218  1.00  0.00           N  
HETATM   36  C   UNL     1      -3.381  -2.067  -3.819  1.00  0.00           C  
HETATM   37  O   UNL     1      -2.188  -2.533  -4.452  1.00  0.00           O  
HETATM   38  H   UNL     1       3.281  -3.981  -0.499  1.00  0.00           H  
HETATM   39  H   UNL     1       4.856  -5.582   0.505  1.00  0.00           H  
HETATM   40  H   UNL     1       5.988  -5.039   2.621  1.00  0.00           H  
HETATM   41  H   UNL     1       5.556  -2.892   3.743  1.00  0.00           H  
HETATM   42  H   UNL     1       3.986  -1.277   2.754  1.00  0.00           H  
HETATM   43  H   UNL     1       2.792  -0.166   1.909  1.00  0.00           H  
HETATM   44  H   UNL     1       1.351   1.468   1.110  1.00  0.00           H  
HETATM   45  H   UNL     1       2.056   0.084  -1.516  1.00  0.00           H  
HETATM   46  H   UNL     1       1.173   1.624  -1.391  1.00  0.00           H  
HETATM   47  H   UNL     1       2.289   3.638  -0.619  1.00  0.00           H  
HETATM   48  H   UNL     1       4.424   4.845  -0.403  1.00  0.00           H  
HETATM   49  H   UNL     1       7.698   3.276  -0.954  1.00  0.00           H  
HETATM   50  H   UNL     1       6.815   4.816  -0.826  1.00  0.00           H  
HETATM   51  H   UNL     1       8.163   4.398   1.122  1.00  0.00           H  
HETATM   52  H   UNL     1       6.555   4.344   1.544  1.00  0.00           H  
HETATM   53  H   UNL     1       6.542   1.156  -0.709  1.00  0.00           H  
HETATM   54  H   UNL     1       4.406  -0.052  -0.923  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.953   1.695   0.212  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.315  -0.928   0.424  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.010  -0.019  -4.416  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.142   0.501  -3.598  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.115  -0.849  -2.418  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.013   0.801   2.059  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.410   1.906   0.721  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.081   0.281  -0.125  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.684  -0.824   1.213  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.381   0.905   2.847  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.778   2.010   1.509  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.184  -0.408   1.114  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.481  -0.480   1.736  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.089   0.634   2.837  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.042   2.282   3.293  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.539  -2.618  -2.891  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.230  -2.223  -4.484  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.205  -3.473  -4.678  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    9                                       
CONECT    3    8    2    4    4                                       
CONECT    4    3    3    5   38                                       
CONECT    5    6    6    4   39                                       
CONECT    6    7    5    5   40                                       
CONECT    7    8    8    6   41                                       
CONECT    8    7    7    3   42                                       
CONECT    9    2   10   43                                            
CONECT   10    9   11   20   44                                       
CONECT   11   12   10   45   46                                       
CONECT   12   13   13   19   11                                       
CONECT   13   14   12   12   47                                       
CONECT   14   15   15   13   48                                       
CONECT   15   16   14   14   18                                       
CONECT   16   17   15   49   50                                       
CONECT   17   16   51   52                                            
CONECT   18   15   19   19   53                                       
CONECT   19   18   18   12   54                                       
CONECT   20   10   22   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   55                                            
CONECT   23   22   29   24   56                                       
CONECT   24   23   25   28                                            
CONECT   25   24   26                                                 
CONECT   26   25   36   27   57                                       
CONECT   27   26   28   58   59                                       
CONECT   28   24   27                                                 
CONECT   29   30   23   60   61                                       
CONECT   30   31   29   62   63                                       
CONECT   31   30   32   64   65                                       
CONECT   32   33   31   66                                            
CONECT   33   35   35   34   32                                       
CONECT   34   33   67   68                                            
CONECT   35   33   33   69                                            
CONECT   36   37   26   70   71                                       
CONECT   37   36   72                                                 
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
