COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.055  -0.049  -0.373  1.00  0.00           C  
HETATM    2  CA  UNL     1      -3.358  -3.304  -0.007  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.780  -3.536   1.391  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.956  -4.610  -0.534  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.422  -4.411  -1.978  1.00  0.00           C  
HETATM    6  C   UNL     1       1.329   0.589  -0.504  1.00  0.00           C  
HETATM    7  C   UNL     1       2.392  -0.509  -0.571  1.00  0.00           C  
HETATM    8  C   UNL     1       3.777   0.129  -0.703  1.00  0.00           C  
HETATM    9  C   UNL     1       4.840  -0.970  -0.770  1.00  0.00           C  
HETATM   10  C   UNL     1       6.204  -0.342  -0.899  1.00  0.00           C  
HETATM   11  C   UNL     1       6.766  -0.175  -2.127  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.410   0.666  -0.188  1.00  0.00           C  
HETATM   13  C   UNL     1       8.026   0.404  -2.266  1.00  0.00           C  
HETATM   14  C   UNL     1       8.731   0.819  -1.179  1.00  0.00           C  
HETATM   15  C   UNL     1       8.182   0.664   0.106  1.00  0.00           C  
HETATM   16  C   UNL     1       6.899   0.080   0.247  1.00  0.00           C  
HETATM   17  C   UNL     1       8.880   1.080   1.253  1.00  0.00           C  
HETATM   18  C   UNL     1       8.317   0.914   2.481  1.00  0.00           C  
HETATM   19  C   UNL     1       7.057   0.335   2.620  1.00  0.00           C  
HETATM   20  C   UNL     1       6.348  -0.071   1.531  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.064  -0.939  -0.001  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.740   1.264  -0.001  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.399   1.663  -0.124  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.605   3.464  -0.060  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.934   2.515   0.160  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.289   3.294   1.427  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.502   3.241  -1.061  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.073   1.003  -0.308  1.00  0.00           N  
HETATM   29  N   UNL     1      -2.785  -0.606  -0.123  1.00  0.00           N  
HETATM   30  N   UNL     1      -5.026  -0.033   0.061  1.00  0.00           N  
HETATM   31  N   UNL     1      -3.387   3.018  -0.154  1.00  0.00           N  
HETATM   32  N   UNL     1      -5.477   2.420   0.037  1.00  0.00           N  
HETATM   33  N   UNL     1      -4.403  -2.280   0.061  1.00  0.00           N  
HETATM   34  O   UNL     1      -3.790  -4.084   2.240  1.00  0.00           O  
HETATM   35  H   UNL     1      -0.245  -0.686  -1.236  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.094  -0.648   0.537  1.00  0.00           H  
HETATM   37  HA  UNL     1      -2.566  -2.971  -0.677  1.00  0.00           H  
HETATM   38  H1  UNL     1      -1.943  -4.232   1.327  1.00  0.00           H  
HETATM   39  H2  UNL     1      -2.434  -2.588   1.803  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.201  -5.395  -0.501  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.806  -4.897   0.086  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.177  -3.626  -2.011  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.572  -4.124  -2.597  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.848  -5.341  -2.353  1.00  0.00           H  
HETATM   45  H   UNL     1       1.368   1.189  -1.414  1.00  0.00           H  
HETATM   46  H   UNL     1       1.519   1.227   0.360  1.00  0.00           H  
HETATM   47  H   UNL     1       2.353  -1.109   0.338  1.00  0.00           H  
HETATM   48  H   UNL     1       2.202  -1.146  -1.435  1.00  0.00           H  
HETATM   49  H   UNL     1       3.816   0.728  -1.612  1.00  0.00           H  
HETATM   50  H   UNL     1       3.967   0.766   0.161  1.00  0.00           H  
HETATM   51  H   UNL     1       4.801  -1.569   0.140  1.00  0.00           H  
HETATM   52  H   UNL     1       4.650  -1.607  -1.633  1.00  0.00           H  
HETATM   53  H   UNL     1       6.228  -0.496  -3.007  1.00  0.00           H  
HETATM   54  H   UNL     1       8.450   0.525  -3.253  1.00  0.00           H  
HETATM   55  H   UNL     1       9.707   1.266  -1.302  1.00  0.00           H  
HETATM   56  H   UNL     1       9.858   1.530   1.160  1.00  0.00           H  
HETATM   57  H   UNL     1       8.856   1.235   3.360  1.00  0.00           H  
HETATM   58  H   UNL     1       6.632   0.218   3.606  1.00  0.00           H  
HETATM   59  H   UNL     1       5.372  -0.517   1.655  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.885   4.508  -0.057  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.360   1.513   0.217  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.373   3.365   1.518  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.885   2.777   2.297  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.863   4.296   1.370  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.249   2.686  -1.965  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.586   3.312  -0.970  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.076   4.243  -1.119  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.810   1.936  -0.351  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.333  -2.542   0.150  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.493  -4.256   3.144  1.00  0.00           H  
CONECT    1   28    6   35   36                                       
CONECT    2    3    4   33   37                                       
CONECT    3   34    2   38   39                                       
CONECT    4    2    5   40   41                                       
CONECT    5    4   42   43   44                                       
CONECT    6    1    7   45   46                                       
CONECT    7    6    8   47   48                                       
CONECT    8    7    9   49   50                                       
CONECT    9    8   10   51   52                                       
CONECT   10    9   16   11   11                                       
CONECT   11   10   10   13   53                                       
CONECT   12   29   29   28   23                                       
CONECT   13   11   14   14   54                                       
CONECT   14   15   13   13   55                                       
CONECT   15   16   16   17   14                                       
CONECT   16   20   10   15   15                                       
CONECT   17   18   18   15   56                                       
CONECT   18   19   17   17   57                                       
CONECT   19   20   20   18   58                                       
CONECT   20   19   19   16   59                                       
CONECT   21   33   29   30   30                                       
CONECT   22   30   23   23   32                                       
CONECT   23   12   22   22   31                                       
CONECT   24   32   31   31   60                                       
CONECT   25   26   32   27   61                                       
CONECT   26   25   62   63   64                                       
CONECT   27   25   65   66   67                                       
CONECT   28    1   12   68                                            
CONECT   29   21   12   12                                            
CONECT   30   21   21   22                                            
CONECT   31   23   24   24                                            
CONECT   32   22   25   24                                            
CONECT   33    2   21   69                                            
CONECT   34    3   70                                                 
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   11                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
