REMARK  Name = BDB026642
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.850   2.231  -2.294  0.00  0.00    -0.273 OA
ATOM      2  C   LIG    1        1.066   1.447  -1.752  0.00  0.00    +0.238 C 
ATOM      3  N   LIG    1       -0.146   1.945  -1.378  0.00  0.00    -0.267 N 
ATOM      4  H   LIG    1       -0.205   2.951  -1.498  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.323   1.405  -0.862  0.00  0.00    +0.147 A 
ATOM      6  N   LIG    1       -2.227   2.325  -0.481  0.00  0.00    -0.133 NA
ATOM      7  N   LIG    1       -3.446   1.951   0.054  0.00  0.00    -0.147 NA
ATOM      8  C   LIG    1       -3.770   0.649   0.198  0.00  0.00    +0.096 A 
ATOM      9  C   LIG    1       -2.865  -0.317  -0.220  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -1.628   0.063  -0.757  0.00  0.00    +0.048 A 
BRANCH   8  11
ATOM     11  C   LIG    1       -5.096   0.363   0.771  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -5.365  -0.796   1.518  0.00  0.00    +0.133 A 
ATOM     13  F   LIG    1       -4.396  -1.694   1.755  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -6.627  -1.056   2.054  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -7.665  -0.150   1.859  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1       -7.433   1.013   1.132  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -6.165   1.266   0.597  0.00  0.00    +0.013 A 
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  18
ATOM     18  C   LIG    1        1.421   0.000  -1.499  0.00  0.00    +0.219 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.847  -0.264  -1.588  0.00  0.00    -0.325 N 
ATOM     20  C   LIG    1        3.757  -0.260  -0.569  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1        3.560   0.099   0.857  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1        4.935   0.302   1.529  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        5.960  -0.778   1.123  0.00  0.00    +0.007 C 
ATOM     24  C   LIG    1        6.217  -0.805  -0.399  0.00  0.00    +0.057 C 
ATOM     25  C   LIG    1        4.937  -0.684  -1.139  0.00  0.00    +0.062 A 
ATOM     26  N   LIG    1        4.776  -0.946  -2.469  0.00  0.00    -0.240 NA
ATOM     27  C   LIG    1        3.512  -0.670  -2.716  0.00  0.00    +0.200 A 
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 4