REMARK  Name = BDB051671
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.124   0.306   3.663  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.317   0.230   2.746  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -3.694  -0.297   1.404  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -2.797  -0.206   0.323  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -3.134  -0.805  -0.903  0.00  0.00    -0.040 A 
ATOM      6  C   LIG    1       -2.134  -0.786  -2.027  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1       -0.717  -0.818  -1.452  0.00  0.00    +0.116 C 
ATOM      8  N   LIG    1       -0.496   0.307  -0.544  0.00  0.00    -0.259 N 
ATOM      9  C   LIG    1        0.613   1.133  -0.613  0.00  0.00    +0.404 C 
ATOM     10  O   LIG    1        0.781   2.095   0.128  0.00  0.00    -0.226 OA
ATOM     11  C   LIG    1       -4.385  -1.414  -1.061  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -5.285  -1.464   0.004  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -1.500   0.575   0.493  0.00  0.00    +0.127 C 
ATOM     14  C   LIG    1       -0.982   0.326   1.925  0.00  0.00    +0.132 C 
ATOM     15  C   LIG    1       -4.937  -0.917   1.240  0.00  0.00    +0.013 A 
ATOM     16  N   LIG    1       -2.008   0.611   2.913  0.00  0.00    -0.309 N 
ATOM     17  H   LIG    1       -1.748   0.856   3.861  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  18
ATOM     18  O   LIG    1        1.487   0.756  -1.580  0.00  0.00    -0.445 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.692   1.525  -1.670  0.00  0.00    +0.269 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.784   0.842  -0.888  0.00  0.00    -0.010 A 
ATOM     21  C   LIG    1        4.473  -0.251  -1.433  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        5.470  -0.895  -0.699  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.782  -0.460   0.587  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.094   0.617   1.144  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.097   1.263   0.412  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   9  18
TORSDOF 3