COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.603  -5.041  -0.110  1.00  0.00           C  
HETATM    2  C   UNL     1       2.118   1.196  -1.014  1.00  0.00           C  
HETATM    3  C   UNL     1       1.048   2.088  -1.076  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.421   0.248  -0.711  1.00  0.00           C  
HETATM    5  C   UNL     1       0.701  -0.594  -0.654  1.00  0.00           C  
HETATM    6  C   UNL     1       1.719  -2.722  -0.400  1.00  0.00           C  
HETATM    7  C   UNL     1       1.336  -4.184  -0.161  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.206   0.887  -1.127  1.00  0.00           C  
HETATM    9  C   UNL     1       3.442  -4.639   1.104  1.00  0.00           C  
HETATM   10  O   UNL     1       8.019   2.792   0.790  1.00  0.00           O  
HETATM   11  C   UNL     1       7.478   1.768   1.135  1.00  0.00           C  
HETATM   12  O   UNL     1       8.158   0.858   1.849  1.00  0.00           O  
HETATM   13  C   UNL     1       6.040   1.513   0.763  1.00  0.00           C  
HETATM   14  C   UNL     1       5.320   2.591  -0.048  1.00  0.00           C  
HETATM   15  C   UNL     1       3.776   2.586  -0.056  1.00  0.00           C  
HETATM   16  C   UNL     1       5.727   1.262  -0.713  1.00  0.00           C  
HETATM   17  C   UNL     1       4.396   0.565  -1.067  1.00  0.00           C  
HETATM   18  N   UNL     1       3.410   1.669  -1.166  1.00  0.00           N  
HETATM   19  N   UNL     1       1.917  -0.097  -0.805  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.229   1.621  -0.925  1.00  0.00           C  
HETATM   21  O   UNL     1       0.536  -1.922  -0.448  1.00  0.00           O  
HETATM   22  C   UNL     1       2.215  -6.517   0.004  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.776  -0.301  -0.544  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.931  -1.492  -0.354  1.00  0.00           O  
HETATM   25  N   UNL     1      -2.846   0.517  -0.600  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.195  -0.029  -0.433  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.528  -0.120   1.057  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.462   1.276   1.680  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.937  -0.690   1.231  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.947   0.226   0.538  1.00  0.00           C  
HETATM   31  O   UNL     1      -8.263  -0.307   0.701  1.00  0.00           O  
HETATM   32  C   UNL     1      -6.615   0.317  -0.952  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.881   1.622   1.161  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.472   2.192   0.987  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.140   2.283  -0.503  1.00  0.00           C  
HETATM   36  H   UNL     1       3.182  -4.887  -1.020  1.00  0.00           H  
HETATM   37  H   UNL     1       1.227   3.140  -1.242  1.00  0.00           H  
HETATM   38  H   UNL     1       2.359  -2.377   0.412  1.00  0.00           H  
HETATM   39  H   UNL     1       2.254  -2.637  -1.346  1.00  0.00           H  
HETATM   40  H   UNL     1       0.696  -4.530  -0.973  1.00  0.00           H  
HETATM   41  H   UNL     1       0.802  -4.270   0.785  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.969   0.952  -2.189  1.00  0.00           H  
HETATM   43  H   UNL     1       4.345  -5.250   1.140  1.00  0.00           H  
HETATM   44  H   UNL     1       3.718  -3.588   1.023  1.00  0.00           H  
HETATM   45  H   UNL     1       2.862  -4.793   2.014  1.00  0.00           H  
HETATM   46  H   UNL     1       9.078   1.066   2.064  1.00  0.00           H  
HETATM   47  H   UNL     1       5.455   0.964   1.501  1.00  0.00           H  
HETATM   48  H   UNL     1       5.823   3.536  -0.252  1.00  0.00           H  
HETATM   49  H   UNL     1       3.392   2.208   0.892  1.00  0.00           H  
HETATM   50  H   UNL     1       3.394   3.589  -0.247  1.00  0.00           H  
HETATM   51  H   UNL     1       6.544   1.207  -1.433  1.00  0.00           H  
HETATM   52  H   UNL     1       4.481   0.044  -2.020  1.00  0.00           H  
HETATM   53  H   UNL     1       4.110  -0.130  -0.277  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.072   2.295  -0.975  1.00  0.00           H  
HETATM   55  H   UNL     1       1.617  -6.804  -0.861  1.00  0.00           H  
HETATM   56  H   UNL     1       3.118  -7.128   0.040  1.00  0.00           H  
HETATM   57  H   UNL     1       1.635  -6.671   0.914  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.723   1.467  -0.752  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.242  -1.023  -0.877  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.808  -0.773   1.551  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.699   1.211   2.742  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.458   1.682   1.556  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.984  -1.685   0.787  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.174  -0.755   2.293  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.957   0.224   0.286  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.334   0.970  -1.446  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.661  -0.678  -1.396  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.601   2.274   0.668  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.119   1.557   2.223  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.425   3.186   1.431  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.136   2.689  -0.627  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.860   2.936  -0.997  1.00  0.00           H  
CONECT    1    9    7   22   36                                       
CONECT    2   19   19    3   18                                       
CONECT    3   20   20    2   37                                       
CONECT    4   23    5    5   20                                       
CONECT    5   21    4    4   19                                       
CONECT    6   21    7   38   39                                       
CONECT    7    6    1   40   41                                       
CONECT    8   32   35   26   42                                       
CONECT    9    1   43   44   45                                       
CONECT   10   11   11                                                 
CONECT   11   10   10   13   12                                       
CONECT   12   11   46                                                 
CONECT   13   16   14   11   47                                       
CONECT   14   16   15   13   48                                       
CONECT   15   18   14   49   50                                       
CONECT   16   17   14   13   51                                       
CONECT   17   18   16   52   53                                       
CONECT   18    2   17   15                                            
CONECT   19    5    2    2                                            
CONECT   20    4    3    3   54                                       
CONECT   21    6    5                                                 
CONECT   22    1   55   56   57                                       
CONECT   23   24   24   25    4                                       
CONECT   24   23   23                                                 
CONECT   25   26   23   58                                            
CONECT   26    8   25   27   59                                       
CONECT   27   26   29   28   60                                       
CONECT   28   34   27   61   62                                       
CONECT   29   30   27   63   64                                       
CONECT   30   32   31   33   29                                       
CONECT   31   30   65                                                 
CONECT   32    8   30   66   67                                       
CONECT   33   30   34   68   69                                       
CONECT   34   35   33   28   70                                       
CONECT   35    8   34   71   72                                       
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   20                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
