REMARK  Name = BDB002999
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.814   2.970  -2.496  0.00  0.00    -0.284 OA
ATOM      2  C   LIG    1        1.646   1.969  -1.815  0.00  0.00    +0.228 C 
ATOM      3  C   LIG    1        2.776   1.001  -1.529  0.00  0.00    +0.233 C 
ATOM      4  O   LIG    1        3.796   1.008  -2.203  0.00  0.00    -0.283 OA
ATOM      5  C   LIG    1        2.592   0.072  -0.402  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        1.326  -0.057   0.188  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1        1.237  -0.861   1.338  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        2.346  -1.557   1.833  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        3.578  -1.452   1.197  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        0.134   0.656  -0.364  0.00  0.00    +0.042 C 
ATOM     11  C   LIG    1        3.707  -0.631   0.082  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        0.323   1.638  -1.262  0.00  0.00    +0.078 C 
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1       -1.138   0.276   0.090  0.00  0.00    -0.325 N 
ATOM     14  C   LIG    1       -1.632  -1.115  -0.118  0.00  0.00    +0.133 C 
ATOM     15  C   LIG    1       -3.056  -1.115  -0.697  0.00  0.00    +0.178 C 
ATOM     16  O   LIG    1       -4.014  -0.468   0.155  0.00  0.00    -0.377 OA
ATOM     17  C   LIG    1       -3.449   0.599   0.932  0.00  0.00    +0.178 C 
ATOM     18  C   LIG    1       -2.237   1.260   0.262  0.00  0.00    +0.133 C 
ENDBRANCH  10  13
TORSDOF 1