COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.112  -2.482  -0.127  1.00  0.00           O  
HETATM    2  C   UNL     1       5.136  -1.275   0.016  1.00  0.00           C  
HETATM    3  N   UNL     1       6.317  -0.627   0.072  1.00  0.00           N  
HETATM    4  C   UNL     1       7.570  -1.376  -0.042  1.00  0.00           C  
HETATM    5  C   UNL     1       8.735  -0.424   0.050  1.00  0.00           C  
HETATM    6  C   UNL     1       9.306  -0.117   1.275  1.00  0.00           C  
HETATM    7  C   UNL     1      10.373   0.760   1.320  1.00  0.00           C  
HETATM    8  N   UNL     1      10.847   1.302   0.216  1.00  0.00           N  
HETATM    9  C   UNL     1      10.329   1.033  -0.967  1.00  0.00           C  
HETATM   10  C   UNL     1      10.909   1.680  -2.198  1.00  0.00           C  
HETATM   11  C   UNL     1       9.264   0.161  -1.090  1.00  0.00           C  
HETATM   12  C   UNL     1       3.872  -0.519   0.125  1.00  0.00           C  
HETATM   13  C   UNL     1       2.582  -1.049   0.080  1.00  0.00           C  
HETATM   14  C   UNL     1       2.083  -2.453  -0.101  1.00  0.00           C  
HETATM   15  N   UNL     1       3.749   0.790   0.289  1.00  0.00           N  
HETATM   16  N   UNL     1       2.504   1.125   0.345  1.00  0.00           N  
HETATM   17  C   UNL     1       2.004   2.492   0.513  1.00  0.00           C  
HETATM   18  C   UNL     1       1.733   0.025   0.230  1.00  0.00           C  
HETATM   19  C   UNL     1       0.274  -0.177   0.259  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.593   0.818   0.161  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.896   0.569   0.167  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.365  -0.666   0.277  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.553  -1.704   0.406  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.187  -1.492   0.420  1.00  0.00           C  
HETATM   25  C   UNL     1       0.763  -2.632   0.648  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.787   1.624   0.056  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.160   1.372  -0.056  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.076   2.254   0.503  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.429   2.005   0.393  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.875   0.874  -0.276  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.960  -0.008  -0.836  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.606   0.243  -0.730  1.00  0.00           C  
HETATM   33  N   UNL     1      -8.248   0.622  -0.387  1.00  0.00           N  
HETATM   34  C   UNL     1      -8.496  -0.622  -1.131  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.005  -0.820  -1.299  1.00  0.00           C  
HETATM   36  N   UNL     1     -10.641  -0.864   0.025  1.00  0.00           N  
HETATM   37  C   UNL     1     -12.081  -1.129  -0.091  1.00  0.00           C  
HETATM   38  C   UNL     1     -10.392   0.379   0.768  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.884   0.576   0.937  1.00  0.00           C  
HETATM   40  H   UNL     1       6.336   0.336   0.186  1.00  0.00           H  
HETATM   41  H   UNL     1       7.632  -2.105   0.766  1.00  0.00           H  
HETATM   42  H   UNL     1       7.598  -1.894  -1.001  1.00  0.00           H  
HETATM   43  H   UNL     1       8.921  -0.558   2.183  1.00  0.00           H  
HETATM   44  H   UNL     1       8.847  -0.058  -2.062  1.00  0.00           H  
HETATM   45  H   UNL     1      10.823   1.005   2.271  1.00  0.00           H  
HETATM   46  H   UNL     1      11.701   1.048  -2.602  1.00  0.00           H  
HETATM   47  H   UNL     1      10.127   1.803  -2.947  1.00  0.00           H  
HETATM   48  H   UNL     1      11.320   2.655  -1.938  1.00  0.00           H  
HETATM   49  H   UNL     1       1.927  -2.648  -1.162  1.00  0.00           H  
HETATM   50  H   UNL     1       2.821  -3.153   0.291  1.00  0.00           H  
HETATM   51  H   UNL     1       0.291  -3.556   0.316  1.00  0.00           H  
HETATM   52  H   UNL     1       0.971  -2.708   1.715  1.00  0.00           H  
HETATM   53  H   UNL     1       1.866   2.951  -0.467  1.00  0.00           H  
HETATM   54  H   UNL     1       1.051   2.469   1.041  1.00  0.00           H  
HETATM   55  H   UNL     1       2.724   3.074   1.088  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.459   2.537   0.056  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.953  -2.703   0.499  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.729   3.134   1.024  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.894  -0.440  -1.169  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.141   2.691   0.829  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.307  -0.888  -1.357  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.026  -0.559  -2.112  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.078  -1.464  -0.580  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.470  -0.252   1.511  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.696   1.513   1.462  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.418   0.009  -1.873  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.192  -1.756  -1.824  1.00  0.00           H  
HETATM   68  H   UNL     1     -12.235  -2.088  -0.586  1.00  0.00           H  
HETATM   69  H   UNL     1     -12.527  -1.157   0.903  1.00  0.00           H  
HETATM   70  H   UNL     1     -12.549  -0.338  -0.677  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.810   1.221   0.218  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.862   0.316   1.750  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   12                                       
CONECT    3    2    4   40                                            
CONECT    4    3    5   41   42                                       
CONECT    5    4    6    6   11                                       
CONECT    6    5    5    7   43                                       
CONECT    7    6    8    8   45                                       
CONECT    8    7    7    9                                            
CONECT    9    8   10   11   11                                       
CONECT   10    9   46   47   48                                       
CONECT   11    5    9    9   44                                       
CONECT   12    2   13   15   15                                       
CONECT   13   12   14   18   18                                       
CONECT   14   13   25   49   50                                       
CONECT   15   12   12   16                                            
CONECT   16   15   17   18                                            
CONECT   17   16   53   54   55                                       
CONECT   18   13   13   16   19                                       
CONECT   19   18   20   24   24                                       
CONECT   20   19   21   21                                            
CONECT   21   20   20   22   26                                       
CONECT   22   21   23   23                                            
CONECT   23   22   22   24   57                                       
CONECT   24   19   19   23   25                                       
CONECT   25   14   24   51   52                                       
CONECT   26   21   27   56                                            
CONECT   27   26   28   32   32                                       
CONECT   28   27   29   29   58                                       
CONECT   29   28   28   30   60                                       
CONECT   30   29   31   31   33                                       
CONECT   31   30   30   32   61                                       
CONECT   32   27   27   31   59                                       
CONECT   33   30   34   39                                            
CONECT   34   33   35   62   63                                       
CONECT   35   34   36   66   67                                       
CONECT   36   35   37   38                                            
CONECT   37   36   68   69   70                                       
CONECT   38   36   39   71   72                                       
CONECT   39   33   38   64   65                                       
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44   11                                                      
CONECT   45    7                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   26                                                      
CONECT   57   23                                                      
CONECT   58   28                                                      
CONECT   59   32                                                      
CONECT   60   29                                                      
CONECT   61   31                                                      
CONECT   62   34                                                      
CONECT   63   34                                                      
CONECT   64   39                                                      
CONECT   65   39                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
