COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.959   3.677   0.125  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.267   3.997   0.108  1.00  0.00           C  
HETATM    3  OXT UNL     1      -2.607   5.163   0.131  1.00  0.00           O  
HETATM    4  CA  UNL     1      -3.290   2.928   0.060  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.911   1.657   0.034  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.642   3.267   0.047  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.593   2.259   0.002  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.163   0.944  -0.029  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.794   0.673  -0.009  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.323  -0.734  -0.037  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.238  -1.776  -0.188  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.805  -3.086  -0.212  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.458  -3.384  -0.089  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.025  -4.824  -0.113  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.560  -4.956  -0.522  1.00  0.00           C  
HETATM   16  C   UNL     1       0.306  -4.091   0.403  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.967  -1.020   0.081  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.536  -2.346   0.058  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.093  -2.648   0.178  1.00  0.00           C  
HETATM   20  N   UNL     1       0.799  -1.709   0.094  1.00  0.00           N  
HETATM   21  N   UNL     1       2.159  -2.023   0.211  1.00  0.00           N  
HETATM   22  C   UNL     1       3.108  -1.024   0.121  1.00  0.00           C  
HETATM   23  S   UNL     1       4.844  -1.274   0.250  1.00  0.00           S  
HETATM   24  C   UNL     1       5.122   0.451   0.020  1.00  0.00           C  
HETATM   25  C   UNL     1       6.301   1.191  -0.022  1.00  0.00           C  
HETATM   26  C   UNL     1       6.257   2.554  -0.217  1.00  0.00           C  
HETATM   27  N   UNL     1       2.848   0.223  -0.074  1.00  0.00           N  
HETATM   28  C   UNL     1       3.884   1.082  -0.135  1.00  0.00           C  
HETATM   29  C   UNL     1       3.864   2.479  -0.335  1.00  0.00           C  
HETATM   30  C   UNL     1       5.035   3.192  -0.373  1.00  0.00           C  
HETATM   31  H   UNL     1      -0.328   4.410   0.156  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.945   4.304   0.073  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.647   2.495  -0.007  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.879   0.136  -0.064  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.291  -1.557  -0.285  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.252  -0.219   0.193  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.522  -3.885  -0.328  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.158  -5.254   0.880  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.644  -5.372  -0.823  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.252  -5.998  -0.440  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.439  -4.621  -1.552  1.00  0.00           H  
HETATM   42  H   UNL     1       0.129  -4.368   1.443  1.00  0.00           H  
HETATM   43  H   UNL     1       1.360  -4.227   0.158  1.00  0.00           H  
HETATM   44  H   UNL     1       2.434  -2.941   0.356  1.00  0.00           H  
HETATM   45  H   UNL     1       7.253   0.696   0.100  1.00  0.00           H  
HETATM   46  H   UNL     1       7.173   3.125  -0.249  1.00  0.00           H  
HETATM   47  H   UNL     1       5.005   4.261  -0.526  1.00  0.00           H  
HETATM   48  H   UNL     1       2.920   2.989  -0.458  1.00  0.00           H  
CONECT    1    2   31                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    5    6                                       
CONECT    5    4    4    9                                            
CONECT    6    4    7    7   32                                       
CONECT    7    6    6    8   33                                       
CONECT    8    7    9    9   34                                       
CONECT    9    5    8    8   10                                       
CONECT   10    9   11   17   17                                       
CONECT   11   10   12   12   35                                       
CONECT   12   11   11   13   37                                       
CONECT   13   12   14   18   18                                       
CONECT   14   13   15   38   39                                       
CONECT   15   14   16   40   41                                       
CONECT   16   15   19   42   43                                       
CONECT   17   10   10   18   36                                       
CONECT   18   13   13   17   19                                       
CONECT   19   16   18   20   20                                       
CONECT   20   19   19   21                                            
CONECT   21   20   22   44                                            
CONECT   22   21   23   27   27                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   28   28                                       
CONECT   25   24   26   26   45                                       
CONECT   26   25   25   30   46                                       
CONECT   27   22   22   28                                            
CONECT   28   24   24   27   29                                       
CONECT   29   28   30   30   48                                       
CONECT   30   26   29   29   47                                       
CONECT   31    1                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35   11                                                      
CONECT   36   17                                                      
CONECT   37   12                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   21                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   30                                                      
CONECT   48   29                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
