REMARK  Name = BDB047873
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.471   0.350   0.540  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -1.364  -0.357   0.027  0.00  0.00    +0.120 A 
ATOM      3  C   LIG    1       -1.583  -1.612  -0.550  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -0.417  -2.331  -1.087  0.00  0.00    +0.260 A 
ATOM      5  N   LIG    1        0.793  -1.706  -0.937  0.00  0.00    -0.306 N 
ATOM      6  H   LIG    1        1.571  -2.190  -1.357  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        0.937  -0.467  -0.357  0.00  0.00    +0.142 A 
ATOM      8  O   LIG    1       -0.517  -3.420  -1.642  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -2.861  -2.174  -0.630  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -3.946  -1.469  -0.121  0.00  0.00    +0.004 A 
ATOM     11  N   LIG    1       -0.069   0.203   0.103  0.00  0.00    -0.225 NA
ATOM     12  C   LIG    1       -3.754  -0.213   0.462  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1        2.313   0.097  -0.292  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        2.463   1.491  -0.252  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        3.736   2.064  -0.190  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1        4.862   1.244  -0.158  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1        6.430   1.945  -0.081  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1        4.724  -0.144  -0.181  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1        3.451  -0.720  -0.244  0.00  0.00    +0.013 A 
ENDBRANCH   7  13
BRANCH   1  21
ATOM     20  C   LIG    1       -3.280   2.307   1.651  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -2.198   1.578   1.092  0.00  0.00    -0.493 OA
ENDBRANCH   1  21
TORSDOF 2