COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.736  -1.372   0.342  1.00  0.00           O  
HETATM    2  C   UNL     1       2.116  -0.246   0.101  1.00  0.00           C  
HETATM    3  C   UNL     1       3.589   0.072   0.119  1.00  0.00           C  
HETATM    4  C   UNL     1       4.372  -1.207   0.413  1.00  0.00           C  
HETATM    5  C   UNL     1       5.193  -1.669  -0.811  1.00  0.00           C  
HETATM    6  C   UNL     1       6.611  -1.044  -0.760  1.00  0.00           C  
HETATM    7  C   UNL     1       6.237   0.408  -0.616  1.00  0.00           C  
HETATM    8  C   UNL     1       6.083   0.952   0.513  1.00  0.00           C  
HETATM    9  C   UNL     1       5.063   2.036   0.747  1.00  0.00           C  
HETATM   10  C   UNL     1       3.857   1.161   1.180  1.00  0.00           C  
HETATM   11  N   UNL     1       1.222   0.720  -0.189  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.136   0.404  -0.307  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.697  -0.570   0.509  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.037  -0.880   0.391  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.927   1.067  -1.236  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.267   0.752  -1.349  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.821  -0.222  -0.539  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.283  -0.563  -0.666  1.00  0.00           C  
HETATM   19  CA  UNL     1      -5.098   0.329   0.273  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.568   0.074   0.057  1.00  0.00           C  
HETATM   21  OXT UNL     1      -7.203   0.643  -0.979  1.00  0.00           O  
HETATM   22  O   UNL     1      -7.175  -0.642   0.818  1.00  0.00           O  
HETATM   23  N   UNL     1      -4.747   0.022   1.666  1.00  0.00           N  
HETATM   24  H   UNL     1       3.883   0.450  -0.860  1.00  0.00           H  
HETATM   25  H   UNL     1       5.049  -1.026   1.247  1.00  0.00           H  
HETATM   26  H   UNL     1       3.672  -1.996   0.688  1.00  0.00           H  
HETATM   27  H   UNL     1       5.275  -2.756  -0.802  1.00  0.00           H  
HETATM   28  H   UNL     1       4.690  -1.352  -1.724  1.00  0.00           H  
HETATM   29  H   UNL     1       7.172  -1.398   0.105  1.00  0.00           H  
HETATM   30  H   UNL     1       7.159  -1.224  -1.686  1.00  0.00           H  
HETATM   31  H   UNL     1       6.096   1.003  -1.507  1.00  0.00           H  
HETATM   32  H   UNL     1       6.701   0.629   1.338  1.00  0.00           H  
HETATM   33  H   UNL     1       5.374   2.710   1.545  1.00  0.00           H  
HETATM   34  H   UNL     1       4.849   2.585  -0.170  1.00  0.00           H  
HETATM   35  H   UNL     1       2.972   1.790   1.284  1.00  0.00           H  
HETATM   36  H   UNL     1       4.078   0.688   2.137  1.00  0.00           H  
HETATM   37  H   UNL     1       1.520   1.635  -0.316  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.085  -1.084   1.236  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.474  -1.637   1.025  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.495   1.828  -1.869  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.882   1.268  -2.072  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.607  -0.399  -1.694  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.437  -1.608  -0.399  1.00  0.00           H  
HETATM   44  HA  UNL     1      -4.876   1.375   0.064  1.00  0.00           H  
HETATM   45  HXT UNL     1      -8.145   0.450  -1.077  1.00  0.00           H  
HETATM   46  H1  UNL     1      -4.944  -0.943   1.884  1.00  0.00           H  
HETATM   47  H2  UNL     1      -3.781   0.246   1.853  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   11                                       
CONECT    3    4    2   10   24                                       
CONECT    4    5    3   25   26                                       
CONECT    5    4    6   27   28                                       
CONECT    6    5    7   29   30                                       
CONECT    7    6    8    8   31                                       
CONECT    8    7    7    9   32                                       
CONECT    9    8   10   33   34                                       
CONECT   10    3    9   35   36                                       
CONECT   11    2   12   37                                            
CONECT   12   11   15   15   13                                       
CONECT   13   12   14   14   38                                       
CONECT   14   13   13   17   39                                       
CONECT   15   12   12   16   40                                       
CONECT   16   15   17   17   41                                       
CONECT   17   16   16   14   18                                       
CONECT   18   17   19   42   43                                       
CONECT   19   23   18   20   44                                       
CONECT   20   19   22   22   21                                       
CONECT   21   20   45                                                 
CONECT   22   20   20                                                 
CONECT   23   19   46   47                                            
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
