REMARK  Name = BDB048242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.623   0.387  -0.829  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        2.502  -0.259  -0.283  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        1.219   0.324  -0.399  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        1.110   1.545  -1.065  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -0.217   1.905  -1.051  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -0.584   2.751  -1.464  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -0.973   0.965  -0.396  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -2.352   0.919  -0.140  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -3.447   1.873  -0.534  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -4.572   1.444   0.418  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -4.370  -0.053   0.697  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -2.889  -0.175   0.556  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -2.054  -1.181   0.964  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -2.324  -2.428   1.676  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -3.413  -2.815   2.049  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -1.123  -3.049   1.823  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -1.008  -3.939   2.279  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -0.098  -2.340   1.273  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1        1.073  -2.660   1.252  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -0.687  -1.125   0.712  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1        2.208   2.212  -1.617  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -0.098  -0.052   0.025  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        3.464   1.612  -1.487  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  25
ATOM     24  O   LIG    1        5.939   0.455  -1.185  0.00  0.00    -0.291 OA
ATOM     25  C   LIG    1        5.000  -0.195  -0.729  0.00  0.00    +0.173 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.144  -1.548  -0.064  0.00  0.00    +0.159 C 
ATOM     27 BR   LIG    1        6.991  -2.155  -0.130  0.00  0.00    -0.083 Br
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 2