COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       8.229  -1.193  -0.645  1.00  0.00           N  
HETATM    2  C   UNL     1       7.206  -0.391  -1.006  1.00  0.00           C  
HETATM    3  C   UNL     1       6.759  -1.307   0.984  1.00  0.00           C  
HETATM    4  N   UNL     1       7.926  -1.754   0.601  1.00  0.00           N  
HETATM    5  C   UNL     1       4.980   0.292   0.013  1.00  0.00           C  
HETATM    6  C   UNL     1       3.808  -0.399  -0.018  1.00  0.00           C  
HETATM    7  N   UNL     1       2.615   0.261   0.011  1.00  0.00           N  
HETATM    8  C   UNL     1       2.577   1.629   0.072  1.00  0.00           C  
HETATM    9  C   UNL     1       3.780   2.363   0.105  1.00  0.00           C  
HETATM   10  C   UNL     1       4.967   1.703   0.076  1.00  0.00           C  
HETATM   11  C   UNL     1       1.316  -0.177  -0.009  1.00  0.00           C  
HETATM   12  C   UNL     1       0.523   0.923   0.040  1.00  0.00           C  
HETATM   13  C   UNL     1       6.273  -0.439  -0.013  1.00  0.00           C  
HETATM   14  N   UNL     1       1.305   2.007   0.089  1.00  0.00           N  
HETATM   15  N   UNL     1      -0.878   0.923   0.040  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.552  -0.243  -0.013  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.030  -0.243  -0.014  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.731   0.964   0.034  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.111   0.957   0.032  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.800  -0.242  -0.016  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.111  -1.441  -0.064  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.732  -1.449  -0.068  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.307  -0.242  -0.017  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.817  -1.684  -0.075  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.817   0.428   1.260  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.816   0.529  -1.237  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.945  -1.295  -0.060  1.00  0.00           O  
HETATM   28  H   UNL     1       7.139   0.186  -1.917  1.00  0.00           H  
HETATM   29  H   UNL     1       6.254  -1.560   1.905  1.00  0.00           H  
HETATM   30  H   UNL     1       3.823  -1.478  -0.066  1.00  0.00           H  
HETATM   31  H   UNL     1       3.758   3.442   0.153  1.00  0.00           H  
HETATM   32  H   UNL     1       5.896   2.254   0.101  1.00  0.00           H  
HETATM   33  H   UNL     1       0.987  -1.205  -0.055  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.363   1.763   0.077  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.195   1.900   0.072  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.655   1.889   0.070  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.655  -2.374  -0.102  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.195  -2.385  -0.109  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.454  -2.233   0.793  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.907  -1.684  -0.076  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.453  -2.161  -0.985  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.454   1.455   1.301  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.907   0.428   1.259  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.455  -0.121   2.129  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.452   0.051  -2.146  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.906   0.529  -1.237  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.453   1.556  -1.195  1.00  0.00           H  
HETATM   48  H   UNL     1       9.033  -1.357  -1.162  1.00  0.00           H  
CONECT    1    2    4   48                                            
CONECT    2    1   13   13   28                                       
CONECT    3    4    4   13   29                                       
CONECT    4    1    3    3                                            
CONECT    5   13   10    6    6                                       
CONECT    6    5    5    7   30                                       
CONECT    7    6    8   11                                            
CONECT    8    7    9   14   14                                       
CONECT    9    8   10   10   31                                       
CONECT   10    5    9    9   32                                       
CONECT   11    7   12   12   33                                       
CONECT   12   11   11   14   15                                       
CONECT   13    2    2    3    5                                       
CONECT   14    8    8   12                                            
CONECT   15   12   16   34                                            
CONECT   16   15   27   27   17                                       
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   35                                       
CONECT   19   18   20   20   36                                       
CONECT   20   19   19   21   23                                       
CONECT   21   20   22   22   37                                       
CONECT   22   17   21   21   38                                       
CONECT   23   20   25   26   24                                       
CONECT   24   23   39   40   41                                       
CONECT   25   23   42   43   44                                       
CONECT   26   23   45   46   47                                       
CONECT   27   16   16                                                 
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    6                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   15                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   24                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48    1                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
