REMARK  Name = BDB056400
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.063   4.420   1.659  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1       -0.546   3.497   1.010  0.00  0.00    +0.350 A 
ATOM      3  N   LIG    1       -1.727   3.708   0.360  0.00  0.00    -0.273 N 
ATOM      4  H   LIG    1       -2.126   4.625   0.482  0.00  0.00    +0.174 HD
ATOM      5  C   LIG    1       -2.565   2.724  -0.056  0.00  0.00    +0.263 A 
ATOM      6  O   LIG    1       -3.727   2.936  -0.378  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -1.954   1.389  -0.051  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1       -0.561   1.224   0.443  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1        0.079  -0.040   0.361  0.00  0.00    -0.292 N 
ATOM     10  C   LIG    1       -0.710  -1.199   0.002  0.00  0.00    +0.074 A 
ATOM     11  C   LIG    1       -2.030  -1.005  -0.479  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.816  -2.087  -0.905  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -2.329  -3.385  -0.831  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -1.066  -3.611  -0.296  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -0.268  -2.539   0.135  0.00  0.00    +0.065 A 
ATOM     16 CL   LIG    1        1.200  -3.006   0.931  0.00  0.00    -0.081 Cl
ATOM     17  C   LIG    1       -2.625   0.330  -0.515  0.00  0.00    +0.027 A 
ATOM     18  N   LIG    1        0.050   2.272   0.931  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   9  19
ATOM     19  C   LIG    1        1.512  -0.015   0.248  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1        2.140  -0.389  -0.953  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        3.531  -0.359  -1.056  0.00  0.00    +0.043 A 
ATOM     22 CL   LIG    1        4.284  -0.824  -2.532  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1        4.315   0.045   0.023  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        3.704   0.425   1.216  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        2.312   0.397   1.327  0.00  0.00    +0.026 A 
ENDBRANCH   9  19
TORSDOF 1