REMARK  Name = BDB051267
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.905   2.953   0.076  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -2.997   2.131   0.115  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1       -3.270   0.685   0.376  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1       -2.221  -0.245   0.418  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1       -2.463  -1.599   0.661  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -3.776  -2.025   0.864  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.831  -1.108   0.824  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -0.925   0.247   0.206  0.00  0.00    -0.215 N 
ATOM      9  C   LIG    1       -0.670   1.573  -0.033  0.00  0.00    +0.138 A 
ATOM     10  C   LIG    1        0.686   1.683  -0.190  0.00  0.00    +0.076 A 
ATOM     11  C   LIG    1        1.193   0.358  -0.029  0.00  0.00    +0.095 A 
ATOM     12  N   LIG    1        0.189  -0.507   0.213  0.00  0.00    -0.164 NA
ATOM     13  C   LIG    1       -4.581   0.246   0.581  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -1.681   2.506  -0.080  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -1.492   3.485  -0.257  0.00  0.00    +0.170 HD
ENDROOT
BRANCH  11  16
ATOM     16  C   LIG    1        2.590  -0.096  -0.099  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        2.906  -1.453   0.087  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1        4.229  -1.901   0.024  0.00  0.00    +0.016 A 
ATOM     19  C   LIG    1        5.252  -0.993  -0.228  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1        7.042  -1.592  -0.314  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1        4.964   0.357  -0.415  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1        3.639   0.802  -0.351  0.00  0.00    +0.011 A 
ENDBRANCH  11  16
TORSDOF 1