REMARK  Name = BDB015728
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.034   1.853   0.065  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1        1.196   1.663  -0.579  0.00  0.00    -0.180 NA
ATOM      3  C   LIG    1        1.529   0.403  -0.889  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1        0.778  -0.684  -0.659  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.396  -0.473  -0.042  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.802   0.787   0.353  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.204  -1.688   0.225  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.540  -1.669   0.050  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.333  -2.785   0.278  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -4.768  -2.672   0.065  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.804  -4.006   0.689  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.456  -5.022   0.911  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -1.328  -4.043   0.856  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -0.595  -2.946   0.630  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1       -0.366   3.159   0.443  0.00  0.00    -0.316 N 
BRANCH  15  17
ATOM     16  C   LIG    1       -1.837   3.666   2.342  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1       -0.420   3.316   1.910  0.00  0.00    +0.103 C 
ENDBRANCH  15  17
BRANCH  15  18
ATOM     18  C   LIG    1        0.387   4.203  -0.281  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1       -0.324   5.548  -0.205  0.00  0.00    +0.024 C 
ENDBRANCH  15  18
ENDBRANCH   1  15
BRANCH   3  20
ATOM     20  O   LIG    1        2.735   0.269  -1.567  0.00  0.00    -0.421 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.297  -0.983  -1.558  0.00  0.00    +0.167 A 
ATOM     22  C   LIG    1        3.740  -1.585  -0.376  0.00  0.00    +0.168 A 
ATOM     23  F   LIG    1        3.602  -0.954   0.800  0.00  0.00    -0.202 F 
ATOM     24  C   LIG    1        4.337  -2.838  -0.399  0.00  0.00    +0.080 A 
ATOM     25  C   LIG    1        4.503  -3.479  -1.621  0.00  0.00    +0.126 A 
ATOM     26  F   LIG    1        5.079  -4.688  -1.656  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        4.089  -2.885  -2.811  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        3.490  -1.625  -2.783  0.00  0.00    +0.052 A 
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6