REMARK  Name = BDB000682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.299  -0.072   0.057  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -0.748  -1.028  -0.980  0.00  0.00    +0.350 A 
ATOM      3  O   LIG    1        0.035  -1.514  -1.792  0.00  0.00    -0.244 OA
ATOM      4  O   LIG    1       -2.097  -1.365  -1.007  0.00  0.00    -0.422 OA
ATOM      5  C   LIG    1       -3.012  -0.822  -0.088  0.00  0.00    +0.139 A 
ATOM      6  C   LIG    1       -2.587   0.077   0.885  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -3.522   0.598   1.783  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -4.867   0.205   1.685  0.00  0.00    +0.127 A 
ATOM      9  C   LIG    1       -5.281  -0.703   0.698  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1       -4.343  -1.220  -0.196  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -1.181   0.443   0.932  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  13
ATOM     12  O   LIG    1        1.435   1.173   1.080  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        1.132   0.376   0.196  0.00  0.00    +0.255 C 
ATOM     14  N   LIG    1        2.006  -0.173  -0.719  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1        1.614  -0.825  -1.400  0.00  0.00    +0.155 HD
BRANCH  14  16
ATOM     16  C   LIG    1        3.394   0.051  -0.839  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        4.061  -0.636  -1.863  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        5.435  -0.474  -2.054  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        6.158   0.377  -1.224  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.504   1.064  -0.203  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        4.128   0.902  -0.011  0.00  0.00    +0.023 A 
ENDBRANCH  14  16
ENDBRANCH   1  13
BRANCH   8  22
ATOM     22  N   LIG    1       -5.853   0.751   2.628  0.00  0.00    +0.056 N 
ATOM     23  O   LIG    1       -5.449   1.549   3.484  0.00  0.00    -0.126 OA
ATOM     24  O   LIG    1       -7.029   0.380   2.510  0.00  0.00    -0.126 OA
ENDBRANCH   8  22
TORSDOF 3