COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.730   1.580  -1.635  1.00  0.00           C  
HETATM    2  CA  UNL     1       1.799  -0.493   0.943  1.00  0.00           C  
HETATM    3  C   UNL     1       0.599  -0.173   0.091  1.00  0.00           C  
HETATM    4  CA  UNL     1      -1.803  -0.219  -0.318  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.039  -0.419   0.520  1.00  0.00           C  
HETATM    6  CA  UNL     1      -5.457  -0.353   0.815  1.00  0.00           C  
HETATM    7  C   UNL     1       2.713  -0.140   3.368  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.579   0.547   0.292  1.00  0.00           C  
HETATM    9  C   UNL     1       9.339   1.964  -0.366  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.190   2.013   0.488  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.322   2.944  -0.005  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.880   3.236  -1.456  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.058  -2.876  -0.295  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.009   2.369  -0.387  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.897  -1.816   0.734  1.00  0.00           C  
HETATM   16  C   UNL     1       8.321   1.287   0.278  1.00  0.00           C  
HETATM   17  C   UNL     1       1.597   0.081   2.346  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.901  -1.074  -1.583  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.867  -2.555  -1.200  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.564  -2.861  -0.457  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.944  -3.411  -2.466  1.00  0.00           C  
HETATM   22  C   UNL     1       7.693   0.226  -0.347  1.00  0.00           C  
HETATM   23  C   UNL     1       8.083  -0.158  -1.616  1.00  0.00           C  
HETATM   24  C   UNL     1       9.102   0.518  -2.260  1.00  0.00           C  
HETATM   25  C   UNL     1       6.583  -0.513   0.356  1.00  0.00           C  
HETATM   26  C   UNL     1       2.490   1.250   2.767  1.00  0.00           C  
HETATM   27  C   UNL     1       4.210  -0.433   0.594  1.00  0.00           C  
HETATM   28  N   UNL     1       2.997   0.098   0.342  1.00  0.00           N  
HETATM   29  N   UNL     1      -0.622  -0.617   0.451  1.00  0.00           N  
HETATM   30  N   UNL     1      -4.255  -0.159   0.000  1.00  0.00           N  
HETATM   31  N   UNL     1      -5.423   3.058  -1.465  1.00  0.00           N  
HETATM   32  O   UNL     1      -3.856   2.077  -0.151  1.00  0.00           O  
HETATM   33  O   UNL     1      -6.295  -2.120  -0.605  1.00  0.00           O  
HETATM   34  O   UNL     1       4.310  -1.402   1.320  1.00  0.00           O  
HETATM   35  O   UNL     1       0.730   0.485  -0.920  1.00  0.00           O  
HETATM   36  O   UNL     1      -2.940  -0.813   1.663  1.00  0.00           O  
HETATM   37  O   UNL     1       5.311   0.111   0.041  1.00  0.00           O  
HETATM   38  H   UNL     1      10.523   2.111  -2.140  1.00  0.00           H  
HETATM   39  HA  UNL     1       1.921  -1.575   1.007  1.00  0.00           H  
HETATM   40  HA  UNL     1      -1.719   0.832  -0.596  1.00  0.00           H  
HETATM   41  HA  UNL     1      -5.239  -0.096   1.852  1.00  0.00           H  
HETATM   42  H   UNL     1       2.422  -0.291   4.408  1.00  0.00           H  
HETATM   43  H   UNL     1       3.592  -0.695   3.041  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.737   0.352  -0.769  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.498   0.338   0.840  1.00  0.00           H  
HETATM   46  H   UNL     1       9.830   2.793   0.122  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.961   2.210   1.536  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.284   2.432   0.014  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.357   3.861   0.584  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.350   2.532  -2.142  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.136   4.260  -1.730  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.949  -2.378  -0.677  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.222  -3.953  -0.278  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.851  -2.523   0.716  1.00  0.00           H  
HETATM   55  H1  UNL     1      -5.068  -2.461   1.022  1.00  0.00           H  
HETATM   56  H2  UNL     1      -6.737  -1.981   1.409  1.00  0.00           H  
HETATM   57  H   UNL     1       8.016   1.587   1.270  1.00  0.00           H  
HETATM   58  H   UNL     1       0.570   0.075   2.713  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.835  -0.854  -2.100  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.060  -0.849  -2.239  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.375  -3.934  -0.481  1.00  0.00           H  
HETATM   62  H   UNL     1       0.260  -2.336  -0.939  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.651  -2.530   0.578  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.872  -3.194  -2.996  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.095  -3.183  -3.111  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.920  -4.466  -2.194  1.00  0.00           H  
HETATM   67  H   UNL     1       7.592  -0.987  -2.104  1.00  0.00           H  
HETATM   68  H   UNL     1       9.404   0.221  -3.253  1.00  0.00           H  
HETATM   69  H   UNL     1       6.571  -1.551   0.025  1.00  0.00           H  
HETATM   70  H   UNL     1       6.748  -0.477   1.433  1.00  0.00           H  
HETATM   71  H   UNL     1       2.052   2.012   3.411  1.00  0.00           H  
HETATM   72  H   UNL     1       3.223   1.609   2.045  1.00  0.00           H  
HETATM   73  H   UNL     1       2.917   0.871  -0.238  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.718  -1.200   1.220  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.335   0.157  -0.914  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.835   3.393  -2.159  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.587  -3.034  -0.730  1.00  0.00           H  
CONECT    1    9   24   24   38                                       
CONECT    2    3   17   28   39                                       
CONECT    3   29    2   35   35                                       
CONECT    4   18    5   29   40                                       
CONECT    5   36   36   30    4                                       
CONECT    6   15   30    8   41                                       
CONECT    7   26   17   42   43                                       
CONECT    8    6   10   44   45                                       
CONECT    9   16   16    1   46                                       
CONECT   10    8   11   14   47                                       
CONECT   11   10   12   48   49                                       
CONECT   12   11   31   50   51                                       
CONECT   13   19   52   53   54                                       
CONECT   14   10   31   32   32                                       
CONECT   15   33    6   55   56                                       
CONECT   16    9    9   22   57                                       
CONECT   17   26    7    2   58                                       
CONECT   18   19    4   59   60                                       
CONECT   19   13   18   21   20                                       
CONECT   20   19   61   62   63                                       
CONECT   21   19   64   65   66                                       
CONECT   22   16   25   23   23                                       
CONECT   23   22   22   24   67                                       
CONECT   24    1    1   23   68                                       
CONECT   25   37   22   69   70                                       
CONECT   26    7   17   71   72                                       
CONECT   27   34   34   28   37                                       
CONECT   28    2   27   73                                            
CONECT   29    4    3   74                                            
CONECT   30    5    6   75                                            
CONECT   31   12   14   76                                            
CONECT   32   14   14                                                 
CONECT   33   15   77                                                 
CONECT   34   27   27                                                 
CONECT   35    3    3                                                 
CONECT   36    5    5                                                 
CONECT   37   27   25                                                 
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    4                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   33                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
