REMARK  Name = BDB041952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.035  -1.365  -0.663  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -3.848  -1.158  -0.431  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1       -3.359   0.118  -0.423  0.00  0.00    -0.304 N 
ATOM      4  H   LIG    1       -4.051   0.812  -0.697  0.00  0.00    +0.149 HD
ATOM      5  C   LIG    1       -1.911   0.529  -0.331  0.00  0.00    +0.100 C 
ATOM      6  C   LIG    1       -1.782   1.968   0.242  0.00  0.00    +0.189 C 
ATOM      7  O   LIG    1       -1.834   2.524  -1.102  0.00  0.00    -0.375 OA
ATOM      8  C   LIG    1       -1.458   1.225  -1.648  0.00  0.00    +0.189 C 
ATOM      9  C   LIG    1       -1.095  -0.584   0.336  0.00  0.00    +0.113 C 
ATOM     10  C   LIG    1       -1.440  -1.916  -0.337  0.00  0.00    +0.034 C 
ATOM     11  C   LIG    1       -2.894  -2.269  -0.061  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1        0.338  -0.287   0.333  0.00  0.00    -0.229 N 
ATOM     13  C   LIG    1        0.978   0.270   1.413  0.00  0.00    +0.254 C 
ATOM     14  O   LIG    1        0.508   0.613   2.480  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        2.385   0.409   1.051  0.00  0.00    +0.049 A 
ATOM     16  C   LIG    1        2.531  -0.066  -0.238  0.00  0.00    +0.049 A 
ATOM     17  C   LIG    1        3.752  -0.069  -0.883  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1        4.849   0.431  -0.174  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.700   0.915   1.143  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        3.451   0.908   1.772  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1        1.216  -0.506  -0.697  0.00  0.00    +0.254 C 
ATOM     22  O   LIG    1        1.005  -0.961  -1.805  0.00  0.00    -0.270 OA
ENDBRANCH   9  12
TORSDOF 1