REMARK  Name = BDB028209
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.255  -0.621  -0.541  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -1.429   0.147  -0.576  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.538  -0.221   0.198  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.471  -1.359   0.997  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.639  -1.739   1.807  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.735  -0.918   1.708  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.551  -1.164   2.260  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.834   0.199   0.938  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -3.621  -2.732   2.526  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -1.309  -2.138   1.030  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.808   0.548   0.214  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.205  -1.769   0.259  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  20
ATOM     13  C   LIG    1        3.895   0.572   0.640  0.00  0.00    +0.137 A 
ATOM     14  C   LIG    1        2.617   0.217   0.433  0.00  0.00    +0.138 A 
ATOM     15  N   LIG    1        2.142   0.122  -0.876  0.00  0.00    -0.296 N 
ATOM     16  C   LIG    1        2.928   0.416  -1.990  0.00  0.00    +0.138 A 
ATOM     17  N   LIG    1        2.255   0.276  -3.111  0.00  0.00    -0.235 NA
ATOM     18  C   LIG    1        1.001  -0.118  -2.730  0.00  0.00    +0.139 A 
ATOM     19  C   LIG    1        4.272   0.827  -1.757  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1        0.890  -0.235  -1.355  0.00  0.00    +0.073 A 
ATOM     21  C   LIG    1        4.738   0.910  -0.496  0.00  0.00    +0.051 A 
BRANCH  13  23
ATOM     22  C   LIG    1        5.279  -0.349   2.249  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        4.423   0.738   1.896  0.00  0.00    -0.494 OA
ENDBRANCH  13  23
ENDBRANCH   1  20
BRANCH  11  24
ATOM     24  C   LIG    1       -3.909   1.805  -0.657  0.00  0.00    +0.136 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -5.228   2.435  -0.522  0.00  0.00    -0.325 NA
ATOM     26  H   LIG    1       -5.933   1.726  -0.742  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1       -5.385   2.612   0.474  0.00  0.00    +0.119 HD
ENDBRANCH  24  25
ENDBRANCH  11  24
TORSDOF 4