REMARK  Name = BDB057888
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.281   0.485   0.187  0.00  0.00    -0.247 N 
ATOM      2  N   LIG    1        0.065   1.222  -0.884  0.00  0.00    -0.065 NA
ATOM      3  N   LIG    1        1.361   1.033  -1.095  0.00  0.00    -0.128 NA
ATOM      4  C   LIG    1        1.829   0.169  -0.136  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1        0.788  -0.188   0.693  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -4.597  -1.859  -1.401  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -5.034  -0.687  -0.559  0.00  0.00    +0.213 C 
ATOM      8  N   LIG    1       -4.031   0.090   0.023  0.00  0.00    -0.300 N 
ATOM      9  C   LIG    1       -2.635   0.059  -0.436  0.00  0.00    +0.134 C 
ATOM     10  C   LIG    1       -1.650   0.469   0.668  0.00  0.00    +0.126 C 
ATOM     11  C   LIG    1       -2.053   1.810   1.292  0.00  0.00    +0.030 C 
ATOM     12  C   LIG    1       -3.492   1.742   1.796  0.00  0.00    +0.021 C 
ATOM     13  C   LIG    1       -4.456   1.321   0.691  0.00  0.00    +0.108 C 
ATOM     14  O   LIG    1       -6.232  -0.459  -0.394  0.00  0.00    -0.276 OA
ENDBRANCH   1  10
BRANCH   4  15
ATOM     15  C   LIG    1        3.205  -0.278  -0.031  0.00  0.00    +0.093 A 
ATOM     16  N   LIG    1        3.506  -1.089   1.018  0.00  0.00    -0.253 NA
ATOM     17  C   LIG    1        4.778  -1.529   1.133  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1        5.788  -1.181   0.258  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1        5.459  -0.332  -0.797  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1        4.151   0.118  -0.963  0.00  0.00    +0.045 A 
BRANCH  19  21
ATOM     21  C   LIG    1        6.476   0.073  -1.787  0.00  0.00    +0.337 C 
ATOM     22  O   LIG    1        6.269   0.077  -2.986  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1        7.635   0.463  -1.219  0.00  0.00    -0.477 OA
ATOM     24  H   LIG    1        7.601   0.584  -0.251  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   4  15
TORSDOF 4