COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.931   1.368  -1.318  1.00  0.00           C  
HETATM    2  C   UNL     1       8.329   1.823  -0.895  1.00  0.00           C  
HETATM    3  C   UNL     1       9.042   0.677  -0.174  1.00  0.00           C  
HETATM    4  C   UNL     1       6.620  -0.085   0.632  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.114  -1.082   1.102  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.352  -0.519   1.332  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.541   1.684   0.305  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.823   2.182   0.491  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.633  -4.099  -1.540  1.00  0.00           N  
HETATM   10  N   UNL     1      -3.615  -2.940  -1.007  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.241  -3.069  -0.960  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.450  -2.115  -0.297  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.055  -2.295  -0.278  1.00  0.00           C  
HETATM   14  N   UNL     1       0.470  -1.247   0.418  1.00  0.00           N  
HETATM   15  C   UNL     1       1.895  -1.034   0.681  1.00  0.00           C  
HETATM   16  C   UNL     1       2.334   0.301   0.073  1.00  0.00           C  
HETATM   17  N   UNL     1       3.728   0.560   0.456  1.00  0.00           N  
HETATM   18  C   UNL     1       4.659   0.829  -0.481  1.00  0.00           C  
HETATM   19  C   UNL     1       6.086   1.092  -0.072  1.00  0.00           C  
HETATM   20  C   UNL     1       9.131   2.223  -2.135  1.00  0.00           C  
HETATM   21  C   UNL     1       8.212   3.023   0.046  1.00  0.00           C  
HETATM   22  N   UNL     1       7.031  -0.993   1.176  1.00  0.00           N  
HETATM   23  O   UNL     1       4.349   0.859  -1.653  1.00  0.00           O  
HETATM   24  C   UNL     1       4.089   0.521   1.880  1.00  0.00           C  
HETATM   25  C   UNL     1       3.631  -0.817   2.468  1.00  0.00           C  
HETATM   26  C   UNL     1       2.137  -1.006   2.192  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.564  -0.405   0.842  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.719  -0.881   0.441  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.051  -0.280   0.689  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.540   0.845   1.152  1.00  0.00           C  
HETATM   31  O   UNL     1      -6.761   1.397   1.380  1.00  0.00           O  
HETATM   32  C   UNL     1      -7.060   1.475  -0.979  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.858   1.763  -2.070  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.135   2.258  -1.882  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.615   2.472  -0.603  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.483   1.647   0.741  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.243   1.090   0.510  1.00  0.00           C  
HETATM   38  N   UNL     1       0.461  -3.362  -0.889  1.00  0.00           N  
HETATM   39  C   UNL     1      -0.319  -4.228  -1.498  1.00  0.00           C  
HETATM   40  H   UNL     1       6.458   2.150  -1.912  1.00  0.00           H  
HETATM   41  H   UNL     1       8.910  -0.245  -0.739  1.00  0.00           H  
HETATM   42  H   UNL     1      10.105   0.905  -0.093  1.00  0.00           H  
HETATM   43  H   UNL     1       8.619   0.556   0.823  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.968  -2.142   1.246  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.176  -1.140   1.651  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.202   2.341   1.490  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.162  -3.678  -1.319  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.035  -2.111  -0.728  1.00  0.00           H  
HETATM   49  H   UNL     1       2.472  -1.844   0.235  1.00  0.00           H  
HETATM   50  H   UNL     1       2.256   0.251  -1.013  1.00  0.00           H  
HETATM   51  H   UNL     1       1.697   1.101   0.450  1.00  0.00           H  
HETATM   52  H   UNL     1       8.623   3.039  -2.649  1.00  0.00           H  
HETATM   53  H   UNL     1      10.127   2.547  -1.834  1.00  0.00           H  
HETATM   54  H   UNL     1       9.215   1.368  -2.805  1.00  0.00           H  
HETATM   55  H   UNL     1       7.640   2.738   0.929  1.00  0.00           H  
HETATM   56  H   UNL     1       9.208   3.348   0.347  1.00  0.00           H  
HETATM   57  H   UNL     1       7.704   3.840  -0.468  1.00  0.00           H  
HETATM   58  H   UNL     1       5.170   0.616   1.986  1.00  0.00           H  
HETATM   59  H   UNL     1       3.595   1.339   2.404  1.00  0.00           H  
HETATM   60  H   UNL     1       4.192  -1.629   2.005  1.00  0.00           H  
HETATM   61  H   UNL     1       3.805  -0.820   3.544  1.00  0.00           H  
HETATM   62  H   UNL     1       1.579  -0.181   2.634  1.00  0.00           H  
HETATM   63  H   UNL     1       1.803  -1.946   2.631  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.062   1.089  -1.126  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.483   1.600  -3.070  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.757   2.482  -2.736  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.613   2.859  -0.460  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.633   2.707   0.603  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.421   1.714   0.191  1.00  0.00           H  
HETATM   70  H   UNL     1       0.134  -5.081  -1.982  1.00  0.00           H  
HETATM   71  H   UNL     1       6.120   1.958   0.589  1.00  0.00           H  
HETATM   72  H   UNL     1       7.009   0.458  -1.912  1.00  0.00           H  
CONECT    1   19    2   40   72                                       
CONECT    2    3   20   21    1                                       
CONECT    3    2   41   42   43                                       
CONECT    4   19   22   22   22                                       
CONECT    5    6    6   29   44                                       
CONECT    6    5    5   30   45                                       
CONECT    7    8    8   31   32                                       
CONECT    8    7    7   35   46                                       
CONECT    9   11   11   39                                            
CONECT   10   11   47   48                                            
CONECT   11    9    9   10   12                                       
CONECT   12   11   13   13   28                                       
CONECT   13   12   12   14   38                                       
CONECT   14   13   15   27                                            
CONECT   15   14   16   26   49                                       
CONECT   16   15   17   50   51                                       
CONECT   17   16   18   24                                            
CONECT   18   17   19   23   23                                       
CONECT   19    1    4   18   71                                       
CONECT   20    2   52   53   54                                       
CONECT   21    2   55   56   57                                       
CONECT   22    4    4    4                                            
CONECT   23   18   18                                                 
CONECT   24   17   25   58   59                                       
CONECT   25   24   26   60   61                                       
CONECT   26   15   25   62   63                                       
CONECT   27   14   28   28                                            
CONECT   28   12   27   27   29                                       
CONECT   29    5   28   37   37                                       
CONECT   30    6   31   36   36                                       
CONECT   31    7   30                                                 
CONECT   32    7   33   33   64                                       
CONECT   33   32   32   34   65                                       
CONECT   34   33   35   35   66                                       
CONECT   35    8   34   34   67                                       
CONECT   36   30   30   37   68                                       
CONECT   37   29   29   36   69                                       
CONECT   38   13   39   39                                            
CONECT   39    9   38   38   70                                       
CONECT   40    1                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   39                                                      
CONECT   71   19                                                      
CONECT   72    1                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
