COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CE  UNL     1      -3.966   0.665   0.703  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.793  -2.269  -0.931  1.00  0.00           C  
HETATM    3  C   UNL     1       1.339   0.961   0.353  1.00  0.00           C  
HETATM    4  C   UNL     1       2.750   0.655  -0.080  1.00  0.00           C  
HETATM    5  C   UNL     1       3.420  -0.242   0.963  1.00  0.00           C  
HETATM    6  C   UNL     1       4.786  -0.648   0.472  1.00  0.00           C  
HETATM    7  C   UNL     1       5.888   0.131   0.773  1.00  0.00           C  
HETATM    8  C   UNL     1       7.141  -0.242   0.323  1.00  0.00           C  
HETATM    9  C   UNL     1       7.292  -1.393  -0.427  1.00  0.00           C  
HETATM   10  C   UNL     1       6.190  -2.172  -0.727  1.00  0.00           C  
HETATM   11  C   UNL     1       4.938  -1.803  -0.273  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.674   0.115   0.205  1.00  0.00           C  
HETATM   13  CA  UNL     1      -1.008   1.379  -0.147  1.00  0.00           C  
HETATM   14  CB  UNL     1      -1.687   2.149  -1.242  1.00  0.00           C  
HETATM   15  CG  UNL     1      -2.915   2.864  -0.789  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.276   0.055   1.186  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.010  -1.256   1.928  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.434  -2.224   0.886  1.00  0.00           C  
HETATM   19  CA  UNL     1      -3.070  -1.736   0.451  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.925  -0.286   0.419  1.00  0.00           N  
HETATM   21  N   UNL     1       0.363   1.082  -0.568  1.00  0.00           N  
HETATM   22  OXT UNL     1      -2.765  -3.594  -1.147  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.597  -1.504  -1.845  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.880  -0.793   0.331  1.00  0.00           O  
HETATM   25  O   UNL     1       1.083   1.098   1.531  1.00  0.00           O  
HETATM   26  SD  UNL     1      -4.328   1.776  -0.675  1.00  0.00           S  
HETATM   27  S   UNL     1       3.684   2.203  -0.235  1.00  0.00           S  
HETATM   28  HE  UNL     1      -3.601   1.293   1.516  1.00  0.00           H  
HETATM   29  H   UNL     1       2.732   0.143  -1.042  1.00  0.00           H  
HETATM   30  H   UNL     1       3.518   0.302   1.902  1.00  0.00           H  
HETATM   31  H   UNL     1       2.812  -1.133   1.121  1.00  0.00           H  
HETATM   32  H   UNL     1       5.770   1.030   1.358  1.00  0.00           H  
HETATM   33  H   UNL     1       8.002   0.367   0.557  1.00  0.00           H  
HETATM   34  H   UNL     1       8.271  -1.684  -0.779  1.00  0.00           H  
HETATM   35  H   UNL     1       6.308  -3.072  -1.313  1.00  0.00           H  
HETATM   36  H   UNL     1       4.078  -2.413  -0.504  1.00  0.00           H  
HETATM   37  HA  UNL     1      -0.968   2.008   0.742  1.00  0.00           H  
HETATM   38  HB1 UNL     1      -0.990   2.895  -1.625  1.00  0.00           H  
HETATM   39  HB2 UNL     1      -1.936   1.460  -2.049  1.00  0.00           H  
HETATM   40  HG1 UNL     1      -2.715   3.326   0.177  1.00  0.00           H  
HETATM   41  HG2 UNL     1      -3.149   3.648  -1.510  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.775   0.754   1.857  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.920  -0.143   0.328  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.288  -1.094   2.729  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.940  -1.652   2.337  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.343  -3.218   1.324  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.098  -2.266   0.023  1.00  0.00           H  
HETATM   48  HA  UNL     1      -2.325  -2.147   1.132  1.00  0.00           H  
HETATM   49  H   UNL     1       0.568   0.972  -1.509  1.00  0.00           H  
HETATM   50  HXT UNL     1      -2.584  -3.888  -2.050  1.00  0.00           H  
HETATM   51  H   UNL     1       3.624   2.718   1.006  1.00  0.00           H  
CONECT    1   16   20   26   28                                       
CONECT    2   23   23   22   19                                       
CONECT    3   25   25   21    4                                       
CONECT    4    3    5   27   29                                       
CONECT    5    4    6   30   31                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8   32                                       
CONECT    8    7    9    9   33                                       
CONECT    9    8    8   10   34                                       
CONECT   10   11   11    9   35                                       
CONECT   11    6   10   10   36                                       
CONECT   12   20   24   24   13                                       
CONECT   13   12   14   21   37                                       
CONECT   14   15   13   38   39                                       
CONECT   15   26   14   40   41                                       
CONECT   16   17    1   42   43                                       
CONECT   17   18   16   44   45                                       
CONECT   18   17   19   46   47                                       
CONECT   19   18    2   20   48                                       
CONECT   20   19    1   12                                            
CONECT   21   13    3   49                                            
CONECT   22    2   50                                                 
CONECT   23    2    2                                                 
CONECT   24   12   12                                                 
CONECT   25    3    3                                                 
CONECT   26    1   15                                                 
CONECT   27    4   51                                                 
CONECT   28    1                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   27                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
