REMARK  Name = BDB028253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.777  -0.417   0.650  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -2.842  -0.072  -0.205  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -4.129   0.163   0.304  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -4.356   0.053   1.672  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -5.708   0.299   2.199  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -6.665   0.629   1.273  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -7.605   0.804   1.618  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -6.477   0.748  -0.069  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -5.951   0.212   3.397  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -3.314  -0.287   2.538  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -5.285   0.532  -0.551  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -2.035  -0.519   2.028  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        1.961  -0.230   0.090  0.00  0.00    +0.147 A 
ATOM     14  C   LIG    1        0.693   0.020   0.613  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1       -0.429  -0.659   0.117  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -0.194  -1.575  -0.911  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        1.019  -1.831  -1.457  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1        2.069  -1.144  -0.949  0.00  0.00    +0.157 A 
BRANCH  13  19
ATOM     19  O   LIG    1        2.998   0.500   0.620  0.00  0.00    -0.451 OA
BRANCH  19  21
ATOM     20  C   LIG    1        5.223   0.510  -0.282  0.00  0.00    +0.162 A 
ATOM     21  C   LIG    1        4.255  -0.059   0.559  0.00  0.00    +0.170 A 
ATOM     22  C   LIG    1        4.566  -1.141   1.390  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1        5.846  -1.688   1.359  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        6.811  -1.144   0.512  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        6.503  -0.049  -0.303  0.00  0.00    +0.049 A 
BRANCH  20  27
ATOM     26  C   LIG    1        5.785   2.200  -1.866  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        4.813   1.576  -1.038  0.00  0.00    -0.491 OA
ENDBRANCH  20  27
ENDBRANCH  19  21
ENDBRANCH  13  19
ENDBRANCH   1  15
BRANCH  11  28
ATOM     28  C   LIG    1       -5.063   0.664  -2.061  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -6.309   1.025  -2.748  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1       -7.014   0.329  -2.494  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1       -6.665   1.879  -2.312  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 6