REMARK  Name = BDB013848
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.731   0.541  -0.417  0.00  0.00    +0.082 A 
ATOM      2  C   LIG    1       -1.813  -0.368   0.147  0.00  0.00    +0.060 A 
ATOM      3  C   LIG    1       -2.385  -1.521   0.693  0.00  0.00    +0.134 A 
ATOM      4  N   LIG    1       -3.704  -1.840   0.665  0.00  0.00    -0.261 NA
ATOM      5  C   LIG    1       -4.533  -0.947   0.097  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1       -4.102   0.246  -0.444  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -3.112   2.760  -1.265  0.00  0.00    -0.245 OA
ATOM      8  C   LIG    1       -2.348   1.842  -1.025  0.00  0.00    +0.339 C 
BRANCH   8   9
ATOM      9  O   LIG    1       -1.048   1.925  -1.367  0.00  0.00    -0.477 OA
ATOM     10  H   LIG    1       -0.974   2.823  -1.758  0.00  0.00    +0.295 HD
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   2  11
ATOM     11  N   LIG    1       -0.449  -0.060   0.289  0.00  0.00    -0.338 N 
ATOM     12  H   LIG    1       -0.181   0.665  -0.387  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1        0.520  -1.148   0.328  0.00  0.00    +0.137 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.914  -0.570   0.236  0.00  0.00    -0.030 A 
ATOM     15  C   LIG    1        2.662  -0.685  -0.945  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        3.945  -0.137  -1.027  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        4.482   0.533   0.070  0.00  0.00    +0.018 A 
ATOM     18 BR   LIG    1        6.217   1.276  -0.043  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1        3.749   0.664   1.248  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        2.468   0.116   1.329  0.00  0.00    +0.006 A 
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   2  11
TORSDOF 5