REMARK  Name = BDB018245
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.298   0.112  -0.113  0.00  0.00    +0.024 A 
ATOM      2  C   LIG    1       -0.757  -0.598   0.419  0.00  0.00    +0.117 A 
ATOM      3  N   LIG    1       -1.479   0.289   1.176  0.00  0.00    -0.264 N 
ATOM      4  N   LIG    1       -0.956   1.536   1.165  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1        0.124   1.420   0.387  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        2.734  -0.024  -0.850  0.00  0.00    +0.135 A 
ATOM      7  C   LIG    1        1.316  -0.398  -0.992  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        0.991  -1.240  -1.994  0.00  0.00    +0.101 A 
ATOM      9  N   LIG    1        1.922  -1.751  -2.881  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1        1.461  -2.640  -3.936  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        3.268  -1.423  -2.807  0.00  0.00    +0.255 A 
ATOM     12  O   LIG    1        4.139  -1.833  -3.569  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        3.651  -0.506  -1.707  0.00  0.00    +0.116 A 
BRANCH   6  14
ATOM     14  O   LIG    1        2.992   0.810   0.215  0.00  0.00    -0.489 OA
BRANCH  14  16
ATOM     15  C   LIG    1        5.063   0.233   1.333  0.00  0.00    +0.051 C 
ATOM     16  C   LIG    1        4.319   1.266   0.494  0.00  0.00    +0.167 C 
ATOM     17  C   LIG    1        4.178   2.571   1.274  0.00  0.00    +0.051 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1   7
BRANCH   3  18
ATOM     18  C   LIG    1       -2.688  -0.024   1.946  0.00  0.00    +0.134 C 
ATOM     19  C   LIG    1       -2.907   0.894   3.154  0.00  0.00    +0.038 C 
BRANCH  18  20
ATOM     20  C   LIG    1       -3.909  -0.067   1.040  0.00  0.00    -0.023 A 
ATOM     21  C   LIG    1       -4.298   1.052   0.286  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -5.425   1.001  -0.536  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -6.181  -0.167  -0.612  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.811  -1.284   0.134  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.683  -1.236   0.956  0.00  0.00    +0.006 A 
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 5