COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.532   4.156  -0.533  1.00  0.00           C  
HETATM    2  N   UNL     1       0.197   3.990   0.322  1.00  0.00           N  
HETATM    3  O   UNL     1       3.521  -0.442  -0.994  1.00  0.00           O  
HETATM    4  C   UNL     1       1.221   3.457  -0.278  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.140   0.850  -0.324  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.814   3.088   0.382  1.00  0.00           C  
HETATM    7  N   UNL     1       0.936   2.177  -0.643  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.112   3.122   0.903  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.075  -3.770  -1.288  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.888   1.999   0.790  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.781  -2.597  -0.184  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.372   0.863   0.163  1.00  0.00           C  
HETATM   13  N   UNL     1      -6.577  -1.552   0.908  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.354   1.910  -0.237  1.00  0.00           C  
HETATM   15  C   UNL     1       1.834   1.254  -1.340  1.00  0.00           C  
HETATM   16  C   UNL     1       2.645   0.459  -0.314  1.00  0.00           C  
HETATM   17  C   UNL     1       4.317  -1.228  -0.222  1.00  0.00           C  
HETATM   18  C   UNL     1       5.193  -2.125  -0.817  1.00  0.00           C  
HETATM   19  C   UNL     1       6.001  -2.924  -0.030  1.00  0.00           C  
HETATM   20  C   UNL     1       5.938  -2.828   1.348  1.00  0.00           C  
HETATM   21  C   UNL     1       5.066  -1.935   1.942  1.00  0.00           C  
HETATM   22  C   UNL     1       4.260  -1.130   1.160  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.217  -0.350   0.041  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.729  -1.502  -0.579  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.550  -2.617  -0.673  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.279  -1.522   0.411  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.519  -0.368   0.544  1.00  0.00           C  
HETATM   28  H   UNL     1       3.203   3.988   0.310  1.00  0.00           H  
HETATM   29  H   UNL     1       2.984   3.760  -1.442  1.00  0.00           H  
HETATM   30  H   UNL     1       2.357   5.225  -0.650  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.492   4.011   1.384  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.643  -4.553  -1.357  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.174  -3.792  -1.648  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.895   1.993   1.183  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.112  -2.355   0.818  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.947  -0.769   1.345  1.00  0.00           H  
HETATM   37  H   UNL     1       1.248   0.567  -1.950  1.00  0.00           H  
HETATM   38  H   UNL     1       2.512   1.819  -1.979  1.00  0.00           H  
HETATM   39  H   UNL     1       1.967  -0.106   0.325  1.00  0.00           H  
HETATM   40  H   UNL     1       3.231   1.146   0.296  1.00  0.00           H  
HETATM   41  H   UNL     1       5.242  -2.201  -1.893  1.00  0.00           H  
HETATM   42  H   UNL     1       6.682  -3.623  -0.492  1.00  0.00           H  
HETATM   43  H   UNL     1       6.571  -3.453   1.961  1.00  0.00           H  
HETATM   44  H   UNL     1       5.018  -1.862   3.019  1.00  0.00           H  
HETATM   45  H   UNL     1       3.580  -0.432   1.625  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.726  -1.526  -0.980  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.931   0.504   1.031  1.00  0.00           H  
CONECT    1    4   28   29   30                                       
CONECT    2    6    4    4                                            
CONECT    3   17   16                                                 
CONECT    4    7    2    2    1                                       
CONECT    5   12   12   14                                            
CONECT    6   14   14    8    2                                       
CONECT    7   14   15    4                                            
CONECT    8   10   10    6   31                                       
CONECT    9   25   32   33                                            
CONECT   10   12    8    8   34                                       
CONECT   11   25   25   26                                            
CONECT   12   23    5    5   10                                       
CONECT   13   26   35   36                                            
CONECT   14    5    7    6    6                                       
CONECT   15   16    7   37   38                                       
CONECT   16    3   15   39   40                                       
CONECT   17   22   22   18    3                                       
CONECT   18   19   19   17   41                                       
CONECT   19   20   18   18   42                                       
CONECT   20   21   21   19   43                                       
CONECT   21   20   20   22   44                                       
CONECT   22   21   17   17   45                                       
CONECT   23   24   24   27   12                                       
CONECT   24   25   23   23   46                                       
CONECT   25    9   11   11   24                                       
CONECT   26   11   13   27   27                                       
CONECT   27   26   26   23   47                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
