REMARK  Name = BDB051280
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.969   2.817  -0.212  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -3.038   2.028  -0.096  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1       -3.276   0.595   0.257  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1       -2.202  -0.298   0.385  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1       -2.411  -1.639   0.715  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -3.716  -2.090   0.917  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.795  -1.210   0.792  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -0.917   0.218   0.169  0.00  0.00    -0.215 N 
ATOM      9  C   LIG    1       -0.694   1.531  -0.155  0.00  0.00    +0.138 A 
ATOM     10  C   LIG    1        0.663   1.671  -0.289  0.00  0.00    +0.076 A 
ATOM     11  C   LIG    1        1.203   0.376  -0.027  0.00  0.00    +0.095 A 
ATOM     12  N   LIG    1        0.218  -0.500   0.252  0.00  0.00    -0.164 NA
ATOM     13  C   LIG    1       -4.579   0.132   0.462  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -1.729   2.428  -0.288  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -1.564   3.397  -0.527  0.00  0.00    +0.170 HD
ENDROOT
BRANCH  11  16
ATOM     16  C   LIG    1        2.613  -0.040  -0.035  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        2.962  -1.372   0.251  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        4.298  -1.782   0.247  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        5.294  -0.861  -0.043  0.00  0.00    +0.123 A 
ATOM     20  F   LIG    1        6.575  -1.250  -0.048  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        4.979   0.462  -0.329  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        3.642   0.872  -0.325  0.00  0.00    +0.013 A 
ENDBRANCH  11  16
TORSDOF 1