COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.178   0.517  -2.689  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.316   0.175  -2.444  1.00  0.00           O  
HETATM    3  N   UNL     1       0.093   1.153  -3.829  1.00  0.00           N  
HETATM    4  C   UNL     1       1.468   1.581  -4.134  1.00  0.00           C  
HETATM    5  C   UNL     1       2.304   0.344  -4.469  1.00  0.00           C  
HETATM    6  C   UNL     1       2.874  -0.280  -3.209  1.00  0.00           C  
HETATM    7  C   UNL     1       1.823  -0.881  -2.293  1.00  0.00           C  
HETATM    8  C   UNL     1       0.929   0.212  -1.703  1.00  0.00           C  
HETATM    9  N   UNL     1       0.353  -0.251  -0.438  1.00  0.00           N  
HETATM   10  C   UNL     1       0.037   0.636   0.523  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.506   0.155   1.844  1.00  0.00           C  
HETATM   12  C   UNL     1       0.108   0.977   2.979  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.436   0.495   4.299  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.728  -0.672   4.445  1.00  0.00           O  
HETATM   15  N   UNL     1      -0.598   1.363   5.318  1.00  0.00           N  
HETATM   16  O   UNL     1      -1.015   0.894   6.587  1.00  0.00           O  
HETATM   17  C   UNL     1       1.629   0.810   2.963  1.00  0.00           C  
HETATM   18  C   UNL     1       1.980  -0.675   3.061  1.00  0.00           C  
HETATM   19  C   UNL     1       3.498  -0.834   3.161  1.00  0.00           C  
HETATM   20  O   UNL     1       3.827  -2.222   3.252  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.027   0.322   1.860  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.687  -1.040   2.082  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.204  -0.863   2.175  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.353  -1.966   0.911  1.00  0.00           C  
HETATM   25  O   UNL     1       0.190   1.823   0.327  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.983   1.434  -4.781  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.110   0.269  -5.765  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.408  -0.930  -5.048  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.513  -1.975  -6.017  1.00  0.00           C  
HETATM   30  H   UNL     1       1.460   2.259  -4.987  1.00  0.00           H  
HETATM   31  H   UNL     1       1.895   2.087  -3.267  1.00  0.00           H  
HETATM   32  H   UNL     1       1.674  -0.385  -4.978  1.00  0.00           H  
HETATM   33  H   UNL     1       3.122   0.632  -5.128  1.00  0.00           H  
HETATM   34  H   UNL     1       3.574  -1.064  -3.496  1.00  0.00           H  
HETATM   35  H   UNL     1       3.420   0.484  -2.657  1.00  0.00           H  
HETATM   36  H   UNL     1       1.208  -1.579  -2.861  1.00  0.00           H  
HETATM   37  H   UNL     1       2.317  -1.416  -1.482  1.00  0.00           H  
HETATM   38  H   UNL     1       1.518   1.112  -1.528  1.00  0.00           H  
HETATM   39  H   UNL     1       0.199  -1.198  -0.294  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.255  -0.896   1.979  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.143   2.028   2.844  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.429   2.308   5.181  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.068   1.667   7.166  1.00  0.00           H  
HETATM   44  H   UNL     1       2.029   1.218   2.035  1.00  0.00           H  
HETATM   45  H   UNL     1       2.061   1.342   3.810  1.00  0.00           H  
HETATM   46  H   UNL     1       1.511  -1.102   3.947  1.00  0.00           H  
HETATM   47  H   UNL     1       1.618  -1.193   2.173  1.00  0.00           H  
HETATM   48  H   UNL     1       3.968  -0.408   2.274  1.00  0.00           H  
HETATM   49  H   UNL     1       3.860  -0.316   4.049  1.00  0.00           H  
HETATM   50  H   UNL     1       4.790  -2.278   3.313  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.310   0.998   2.666  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.358   0.734   0.907  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.315  -1.477   3.008  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.674  -1.833   2.333  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.442  -0.203   3.010  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.576  -0.426   1.249  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.766  -1.552  -0.008  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.270  -2.054   0.815  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.783  -2.950   1.091  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.755   2.348  -5.328  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.922   1.557  -4.242  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.171   0.145  -6.305  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.911   0.477  -6.474  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.741  -2.915  -5.514  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.310  -1.738  -6.722  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.569  -2.070  -6.553  1.00  0.00           H  
CONECT    1    2    2    3    8                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   26                                            
CONECT    4    3    5   30   31                                       
CONECT    5    4    6   32   33                                       
CONECT    6    5    7   34   35                                       
CONECT    7    6    8   36   37                                       
CONECT    8    1    7    9   38                                       
CONECT    9    8   10   39                                            
CONECT   10    9   11   25   25                                       
CONECT   11   10   12   21   40                                       
CONECT   12   11   13   17   41                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   42                                            
CONECT   16   15   43                                                 
CONECT   17   12   18   44   45                                       
CONECT   18   17   19   46   47                                       
CONECT   19   18   20   48   49                                       
CONECT   20   19   50                                                 
CONECT   21   11   22   51   52                                       
CONECT   22   21   23   24   53                                       
CONECT   23   22   54   55   56                                       
CONECT   24   22   57   58   59                                       
CONECT   25   10   10                                                 
CONECT   26    3   27   60   61                                       
CONECT   27   26   28   62   63                                       
CONECT   28   27   29                                                 
CONECT   29   28   64   65   66                                       
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
