REMARK  Name = BDB056402
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.414  -4.631   0.664  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1       -0.265  -3.647   0.387  0.00  0.00    +0.350 A 
ATOM      3  N   LIG    1       -1.606  -3.816   0.197  0.00  0.00    -0.273 N 
ATOM      4  H   LIG    1       -1.944  -4.757   0.321  0.00  0.00    +0.174 HD
ATOM      5  C   LIG    1       -2.528  -2.820   0.225  0.00  0.00    +0.263 A 
ATOM      6  O   LIG    1       -3.731  -3.036   0.303  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -1.943  -1.473   0.177  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1       -0.464  -1.324   0.184  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1        0.111  -0.037   0.074  0.00  0.00    -0.293 N 
ATOM     10  C   LIG    1       -0.751   1.121   0.058  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -2.160   0.968   0.065  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1       -2.980   2.117   0.043  0.00  0.00    +0.050 A 
ATOM     13 CL   LIG    1       -4.710   2.031   0.033  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1       -2.420   3.397   0.032  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1       -1.040   3.553   0.054  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1       -0.217   2.427   0.072  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1       -2.725  -0.389   0.111  0.00  0.00    +0.028 A 
ATOM     18  N   LIG    1        0.274  -2.398   0.279  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   9  19
ATOM     19  C   LIG    1        1.529   0.055  -0.106  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1        2.065   0.555  -1.306  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        3.448   0.651  -1.483  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        4.306   0.243  -0.464  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        6.008   0.364  -0.681  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        3.794  -0.261   0.729  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        2.411  -0.356   0.906  0.00  0.00    +0.027 A 
ENDBRANCH   9  19
TORSDOF 1