REMARK  Name = BDB044081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.449  -3.562   0.832  0.00  0.00    +0.064 C 
ATOM      2  C   LIG    1       -0.672  -2.319   0.592  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -1.064  -1.001   0.446  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1        0.106  -0.215   0.224  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1        1.194  -1.081   0.215  0.00  0.00    +0.055 A 
ATOM      6  N   LIG    1        0.694  -2.346   0.444  0.00  0.00    -0.357 N 
ATOM      7  H   LIG    1        1.269  -3.176   0.502  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.417  -0.533   0.503  0.00  0.00    +0.080 A 
ATOM      9  N   LIG    1       -3.063  -0.069  -0.659  0.00  0.00    -0.196 N 
ATOM     10  C   LIG    1       -4.384   0.413  -0.609  0.00  0.00    +0.253 A 
ATOM     11  N   LIG    1       -4.758   0.783  -1.815  0.00  0.00    -0.197 NA
ATOM     12  C   LIG    1       -3.669   0.516  -2.580  0.00  0.00    +0.247 A 
ATOM     13  N   LIG    1       -5.098   0.451   0.555  0.00  0.00    -0.219 NA
ATOM     14  C   LIG    1       -4.482   0.016   1.607  0.00  0.00    +0.117 A 
ATOM     15  N   LIG    1       -2.625  -0.014  -1.948  0.00  0.00    -0.152 NA
ATOM     16  C   LIG    1       -3.097  -0.510   1.666  0.00  0.00    +0.048 A 
ENDBRANCH   3   8
BRANCH   4  17
ATOM     17  C   LIG    1        0.206   1.221   0.016  0.00  0.00    -0.015 A 
ATOM     18  C   LIG    1       -0.127   2.104   1.050  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -0.048   3.483   0.847  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        0.359   3.984  -0.389  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        0.688   3.109  -1.423  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        0.611   1.730  -1.223  0.00  0.00    +0.008 A 
ENDBRANCH   4  17
BRANCH   5  23
ATOM     23  C   LIG    1        2.630  -0.856   0.037  0.00  0.00    -0.001 A 
ATOM     24  C   LIG    1        3.354  -1.605  -0.901  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        4.725  -1.399  -1.067  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.386  -0.443  -0.298  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.675   0.309   0.636  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        3.304   0.103   0.803  0.00  0.00    +0.010 A 
ENDBRANCH   5  23
TORSDOF 3