COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.482  -1.197  -0.772  1.00  0.00           C  
HETATM    2  C   UNL     1       2.256  -1.915  -0.205  1.00  0.00           C  
HETATM    3  C   UNL     1       2.667  -2.737   1.019  1.00  0.00           C  
HETATM    4  C   UNL     1       1.196  -0.876   0.207  1.00  0.00           C  
HETATM    5  C   UNL     1       0.788  -0.089  -1.011  1.00  0.00           C  
HETATM    6  O   UNL     1       0.609  -0.678  -2.072  1.00  0.00           O  
HETATM    7  N   UNL     1       0.617   1.251  -0.965  1.00  0.00           N  
HETATM    8  CA  UNL     1       1.017   2.126   0.157  1.00  0.00           C  
HETATM    9  C   UNL     1       2.527   2.124   0.382  1.00  0.00           C  
HETATM   10  O   UNL     1       3.179   2.697  -0.753  1.00  0.00           O  
HETATM   11  C   UNL     1       0.248   1.644   1.404  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.124   1.390   0.833  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.660   0.152   0.302  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.086   2.326   0.720  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.180   1.786   0.100  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.947   0.456  -0.176  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.706  -0.526  -0.803  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.203  -1.801  -0.939  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.950  -2.121  -0.443  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.174  -1.166   0.200  1.00  0.00           C  
HETATM   21  N   UNL     1       0.029  -1.565   0.747  1.00  0.00           N  
HETATM   22  C   UNL     1       0.014  -1.717   2.194  1.00  0.00           C  
HETATM   23  H   UNL     1       3.898  -0.535  -0.013  1.00  0.00           H  
HETATM   24  H   UNL     1       4.231  -1.933  -1.064  1.00  0.00           H  
HETATM   25  H   UNL     1       3.189  -0.612  -1.644  1.00  0.00           H  
HETATM   26  H   UNL     1       1.839  -2.578  -0.964  1.00  0.00           H  
HETATM   27  H   UNL     1       3.083  -2.075   1.778  1.00  0.00           H  
HETATM   28  H   UNL     1       1.793  -3.249   1.423  1.00  0.00           H  
HETATM   29  H   UNL     1       3.416  -3.473   0.727  1.00  0.00           H  
HETATM   30  H   UNL     1       1.644  -0.232   0.961  1.00  0.00           H  
HETATM   31  H   UNL     1       0.205   1.681  -1.755  1.00  0.00           H  
HETATM   32  HA  UNL     1       0.702   3.161  -0.070  1.00  0.00           H  
HETATM   33  H1  UNL     1       2.762   2.710   1.270  1.00  0.00           H  
HETATM   34  H2  UNL     1       2.872   1.099   0.520  1.00  0.00           H  
HETATM   35  H   UNL     1       4.142   2.729  -0.679  1.00  0.00           H  
HETATM   36  H   UNL     1       0.684   0.775   1.866  1.00  0.00           H  
HETATM   37  H   UNL     1       0.192   2.458   2.145  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.990   3.348   1.051  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.997   2.261  -0.113  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.692  -0.292  -1.176  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.796  -2.560  -1.429  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.568  -3.127  -0.546  1.00  0.00           H  
HETATM   43  H   UNL     1       0.038  -0.733   2.662  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.893  -2.241   2.494  1.00  0.00           H  
HETATM   45  H   UNL     1       0.887  -2.290   2.508  1.00  0.00           H  
CONECT    1    2   23   24   25                                       
CONECT    2    1    3    4   26                                       
CONECT    3    2   27   28   29                                       
CONECT    4    2   21    5   30                                       
CONECT    5    4    7    6    6                                       
CONECT    6    5    5                                                 
CONECT    7    8    5   31                                            
CONECT    8   11    7    9   32                                       
CONECT    9    8   10   33   34                                       
CONECT   10    9   35                                                 
CONECT   11   12    8   36   37                                       
CONECT   12   14   14   13   11                                       
CONECT   13   16   12   20   20                                       
CONECT   14   15   12   12   38                                       
CONECT   15   14   16   39                                            
CONECT   16   15   17   17   13                                       
CONECT   17   16   16   18   40                                       
CONECT   18   17   19   19   41                                       
CONECT   19   18   18   20   42                                       
CONECT   20   13   13   19   21                                       
CONECT   21   20    4   22                                            
CONECT   22   21   43   44   45                                       
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
