REMARK  Name = BDB056397
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.197   4.348   1.873  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1       -0.300   3.488   1.151  0.00  0.00    +0.350 A 
ATOM      3  N   LIG    1       -1.411   3.812   0.428  0.00  0.00    -0.273 N 
ATOM      4  H   LIG    1       -1.747   4.752   0.562  0.00  0.00    +0.174 HD
ATOM      5  C   LIG    1       -2.312   2.905  -0.030  0.00  0.00    +0.263 A 
ATOM      6  O   LIG    1       -3.442   3.216  -0.386  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -1.815   1.524  -0.021  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1       -0.456   1.242   0.516  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1        0.091  -0.065   0.413  0.00  0.00    -0.292 N 
ATOM     10  C   LIG    1       -0.791  -1.155   0.056  0.00  0.00    +0.070 A 
ATOM     11  C   LIG    1       -2.078  -0.854  -0.458  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.942  -1.869  -0.896  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -2.568  -3.203  -0.798  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -1.345  -3.530  -0.224  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -0.470  -2.525   0.220  0.00  0.00    +0.042 A 
ATOM     16 BR   LIG    1        1.050  -3.168   1.175  0.00  0.00    -0.048 Br
ATOM     17  C   LIG    1       -2.556   0.527  -0.513  0.00  0.00    +0.027 A 
ATOM     18  N   LIG    1        0.210   2.227   1.060  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   9  19
ATOM     19  C   LIG    1        1.511  -0.132   0.196  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1        2.030  -0.590  -1.030  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1        3.409  -0.652  -1.244  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        4.288  -0.253  -0.240  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.793   0.210   0.977  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        2.414   0.271   1.193  0.00  0.00    +0.026 A 
ENDBRANCH   9  19
TORSDOF 1