REMARK  Name = BDB003937
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.306   0.727  -2.201  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.608   0.384  -1.246  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.248   0.421  -1.375  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -3.114   0.618  -2.363  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -2.477  -0.662  -1.042  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -2.075  -1.421  -1.921  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -2.084  -0.806   0.434  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1       -1.291   0.431   0.890  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1        0.099   0.144   0.568  0.00  0.00    -0.293 N 
ATOM     10  C   LIG    1        1.074   1.138   0.699  0.00  0.00    +0.302 C 
ATOM     11  O   LIG    1        0.731   2.237   1.148  0.00  0.00    -0.265 OA
ATOM     12  C   LIG    1        0.285  -1.252   0.207  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -1.026  -1.922   0.603  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -3.296  -1.098   1.327  0.00  0.00    +0.018 C 
ATOM     15  C   LIG    1       -4.399  -0.044   1.273  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1       -5.235  -0.167   0.011  0.00  0.00    +0.096 C 
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1        2.456   0.851   0.307  0.00  0.00    +0.285 A 
ATOM     18  O   LIG    1        2.761  -0.241  -0.474  0.00  0.00    -0.432 OA
ATOM     19  C   LIG    1        4.109  -0.159  -0.656  0.00  0.00    +0.156 A 
ATOM     20  C   LIG    1        4.559   0.968   0.010  0.00  0.00    +0.110 A 
ATOM     21  C   LIG    1        5.924   1.276  -0.026  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        6.777   0.420  -0.741  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        6.279  -0.711  -1.402  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        4.916  -1.031  -1.375  0.00  0.00    +0.048 A 
ATOM     25  N   LIG    1        3.505   1.603   0.613  0.00  0.00    -0.205 NA
ENDBRANCH  10  17
TORSDOF 1