REMARK  Name = BDB003898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.293  -0.448   1.407  0.00  0.00    -0.291 N 
ATOM      2  C   LIG    1        0.103  -1.485   0.580  0.00  0.00    +0.217 C 
ATOM      3  O   LIG    1       -0.258  -2.648   0.727  0.00  0.00    -0.276 OA
ATOM      4  C   LIG    1        0.973  -1.055  -0.581  0.00  0.00    +0.112 C 
ATOM      5  C   LIG    1        2.094  -0.058  -0.173  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1        2.566   0.658  -1.454  0.00  0.00    +0.226 C 
ATOM      7  O   LIG    1        2.050   0.481  -2.555  0.00  0.00    -0.275 OA
ATOM      8  N   LIG    1        3.528   1.625  -1.312  0.00  0.00    -0.256 N 
ATOM      9  H   LIG    1        3.459   2.252  -2.110  0.00  0.00    +0.157 HD
ATOM     10  C   LIG    1        4.856   1.303  -1.294  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1        5.624   1.901  -2.047  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        5.343   0.171  -0.427  0.00  0.00    +0.096 C 
ATOM     13  C   LIG    1        4.508  -0.096   0.813  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1        3.236  -0.873   0.480  0.00  0.00    +0.017 C 
ATOM     15  C   LIG    1        1.548   1.017   0.820  0.00  0.00    +0.035 C 
ATOM     16  C   LIG    1        0.042   0.914   1.037  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1       -1.372  -0.686   2.370  0.00  0.00    +0.228 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.796  -0.518   1.836  0.00  0.00    +0.325 C 
ATOM     19  O   LIG    1       -3.787  -0.640   2.545  0.00  0.00    -0.249 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -2.810  -0.214   0.511  0.00  0.00    -0.458 OA
BRANCH  20  22
ATOM     21  C   LIG    1       -3.628   0.250  -1.656  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1       -4.056  -0.059  -0.214  0.00  0.00    +0.105 C 
ATOM     23  C   LIG    1       -4.866   1.126   0.323  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -4.867  -1.359  -0.210  0.00  0.00    +0.055 C 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 4