REMARK  Name = BDB005585
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.343  -0.551  -0.684  0.00  0.00    -0.032 A 
ATOM      2  C   LIG    1       -0.567   0.534  -1.114  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.815   0.540  -0.905  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        1.465  -0.536  -0.283  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        2.937  -0.475  -0.111  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1        3.613  -1.574   0.415  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1        3.158  -2.458   0.206  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        5.068  -1.655   0.349  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1        5.665  -0.285   0.647  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        5.089   0.776  -0.296  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        3.600   0.640  -0.479  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        2.897   1.788  -1.113  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1        3.495   2.802  -1.463  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        0.678  -1.606   0.167  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        1.552   1.657  -1.308  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        1.089   2.447  -1.737  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -0.708  -1.615  -0.034  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1       -2.838  -0.555  -0.904  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.474   0.510  -0.133  0.00  0.00    -0.310 NA
ATOM     20  H   LIG    1       -3.264   0.380   0.857  0.00  0.00    +0.122 HD
BRANCH  19  22
ATOM     21  C   LIG    1       -5.679  -0.537   0.360  0.00  0.00    +0.023 C 
ATOM     22  C   LIG    1       -4.922   0.593  -0.341  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1       -5.392   1.944   0.201  0.00  0.00    +0.023 C 
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 3