REMARK  Name = BDB025434
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.062   2.050  -0.976  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -5.081   1.051   0.154  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.888   0.394   0.442  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -2.596   0.859  -0.103  0.00  0.00    +0.163 C 
ATOM      5  C   LIG    1       -1.559  -0.175   0.125  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1       -1.703  -1.354   0.822  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -0.451  -1.970   0.747  0.00  0.00    +0.142 A 
ATOM      8  N   LIG    1        0.425  -1.238   0.073  0.00  0.00    -0.149 NA
ATOM      9  C   LIG    1       -2.994  -1.739   1.438  0.00  0.00    +0.059 C 
ATOM     10  N   LIG    1       -0.247  -0.122  -0.309  0.00  0.00    -0.200 N 
ATOM     11  C   LIG    1        0.378   0.909  -1.042  0.00  0.00    +0.255 C 
ATOM     12  O   LIG    1       -0.293   1.887  -1.374  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1       -3.861  -0.481   1.634  0.00  0.00    +0.113 C 
ATOM     14  O   LIG    1       -6.127   0.837   0.768  0.00  0.00    -0.276 OA
ENDROOT
BRANCH  11  15
ATOM     15  C   LIG    1        1.849   0.761  -1.380  0.00  0.00    +0.113 C 
ATOM     16  C   LIG    1        2.797   0.685  -0.195  0.00  0.00    -0.014 A 
ATOM     17  C   LIG    1        3.943  -0.129  -0.273  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1        4.779  -0.229   0.847  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        4.543   0.534   1.991  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        3.455   1.397   2.036  0.00  0.00    +0.000 A 
ATOM     21  N   LIG    1        4.204  -0.937  -1.390  0.00  0.00    -0.344 N 
ATOM     22  H   LIG    1        5.193  -1.150  -1.485  0.00  0.00    +0.146 HD
ATOM     23  C   LIG    1        3.575  -0.524  -2.636  0.00  0.00    +0.102 C 
ATOM     24  C   LIG    1        2.586   1.476   0.949  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        2.083  -0.334  -2.426  0.00  0.00    +0.036 C 
ENDBRANCH  11  15
BRANCH   7  26
ATOM     26  N   LIG    1       -0.149  -3.154   1.287  0.00  0.00    -0.341 N 
ATOM     27  H   LIG    1        0.843  -3.368   1.342  0.00  0.00    +0.144 HD
ATOM     28  H   LIG    1       -0.676  -3.510   2.074  0.00  0.00    +0.144 HD
ENDBRANCH   7  26
TORSDOF 2