REMARK  Name = BDB005589
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.082   2.667  -2.079  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -2.580   1.849  -1.315  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -3.280   0.592  -0.939  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -4.644   0.370  -1.538  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -5.134  -1.072  -1.369  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -4.842  -1.581   0.037  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -3.418  -1.433   0.321  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -3.168  -1.742   1.255  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -2.727  -0.292  -0.083  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -1.364  -0.039   0.444  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -0.720   1.158   0.099  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        0.559   1.463   0.577  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        1.245   0.559   1.399  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1        0.613  -0.644   1.737  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -0.670  -0.943   1.260  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -1.353   2.065  -0.756  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -0.896   2.924  -1.026  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  18
ATOM     18  C   LIG    1        2.633   0.882   1.912  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        3.762   0.447   1.088  0.00  0.00    -0.294 NA
ATOM     20  C   LIG    1        3.885   1.130  -0.208  0.00  0.00    +0.113 C 
ATOM     21  C   LIG    1        4.923   0.431  -1.100  0.00  0.00    +0.175 C 
ATOM     22  O   LIG    1        4.560  -0.917  -1.433  0.00  0.00    -0.377 OA
ATOM     23  C   LIG    1        3.701  -1.528  -0.459  0.00  0.00    +0.175 C 
ATOM     24  C   LIG    1        3.944  -1.007   0.967  0.00  0.00    +0.113 C 
ENDBRANCH  18  19
ENDBRANCH  13  18
TORSDOF 2