REMARK  Name = BDB020466
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.452  -1.013   1.136  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        0.820  -0.561   0.686  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1        1.963  -1.328   0.977  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1        3.198  -0.972   0.585  0.00  0.00    -0.251 NA
ATOM      5  C   LIG    1        3.385   0.179  -0.115  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1        2.320   1.000  -0.479  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1        1.821  -2.505   1.698  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.578  -2.951   2.148  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        1.038   0.617  -0.059  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1       -0.558  -2.204   1.869  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -6.021  -0.169   0.473  0.00  0.00    +0.041 C 
ATOM     12  C   LIG    1       -4.926   0.286  -0.486  0.00  0.00    +0.171 C 
ATOM     13  N   LIG    1       -3.633   0.335   0.168  0.00  0.00    -0.318 N 
ATOM     14  C   LIG    1       -2.747  -0.708   0.139  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1       -1.664  -0.263   0.866  0.00  0.00    +0.094 A 
ATOM     16  N   LIG    1       -1.869   1.026   1.298  0.00  0.00    -0.232 NA
ATOM     17  C   LIG    1       -3.078  -1.945  -0.586  0.00  0.00    +0.163 C 
ATOM     18  N   LIG    1       -3.889  -1.612  -1.751  0.00  0.00    -0.297 N 
ATOM     19  C   LIG    1       -3.916  -2.588  -2.826  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1       -3.061   1.365   0.856  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1       -4.895  -0.648  -1.699  0.00  0.00    +0.238 C 
ATOM     22  O   LIG    1       -5.762  -0.551  -2.571  0.00  0.00    -0.273 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.690   2.768   1.093  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -3.268   3.563   2.301  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -4.639   2.956   2.247  0.00  0.00    +0.012 C 
ENDBRANCH  20  23
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1        4.823   0.477  -0.499  0.00  0.00    +0.043 C 
ATOM     27  C   LIG    1        5.298  -0.471  -1.603  0.00  0.00    +0.038 C 
ATOM     28  C   LIG    1        6.726  -0.132  -2.026  0.00  0.00    +0.160 C 
ATOM     29  O   LIG    1        7.481   0.517  -1.000  0.00  0.00    -0.380 OA
ATOM     30  C   LIG    1        7.188   0.006   0.295  0.00  0.00    +0.160 C 
ATOM     31  C   LIG    1        5.778   0.413   0.709  0.00  0.00    +0.038 C 
ENDBRANCH   5  26
BRANCH   6  32
ATOM     32  C   LIG    1        2.501   2.262  -1.274  0.00  0.00    +0.373 C 
ATOM     33  F   LIG    1        3.201   2.062  -2.426  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1        1.326   2.835  -1.667  0.00  0.00    -0.204 F 
ENDBRANCH   6  32
TORSDOF 4