REMARK  Name = BDB025471
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.816  -0.369  -0.829  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1        1.522   0.380  -0.831  0.00  0.00    +0.142 C 
ATOM      3  C   LIG    1        0.742   0.095   0.416  0.00  0.00    +0.083 A 
ATOM      4  N   LIG    1       -0.551   0.389   0.563  0.00  0.00    -0.166 NA
ATOM      5  N   LIG    1       -0.858  -0.023   1.828  0.00  0.00    -0.185 N 
ATOM      6  C   LIG    1        0.280  -0.511   2.490  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1       -2.175   0.051   2.330  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1       -2.413  -0.365   3.467  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.308  -0.447   1.585  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        2.737  -0.828   1.653  0.00  0.00    +0.056 C 
ATOM     11  C   LIG    1        3.522  -0.215   0.464  0.00  0.00    +0.089 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -3.245   0.650   1.438  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -3.506  -0.064   0.122  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -3.865   0.683  -1.018  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -4.052   0.018  -2.239  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -3.977  -1.373  -2.316  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -3.697  -2.103  -1.171  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1       -3.643  -3.439  -1.236  0.00  0.00    -0.205 F 
ATOM     19  N   LIG    1       -3.914   2.085  -0.998  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1       -4.532   2.460  -1.713  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1       -4.090   2.703   0.307  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -3.466  -1.468   0.043  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -3.057   2.164   1.281  0.00  0.00    +0.036 C 
ENDBRANCH   7  12
BRANCH   6  24
ATOM     24  N   LIG    1        0.278  -0.944   3.772  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1       -0.619  -1.090   4.248  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1        1.019  -1.547   4.117  0.00  0.00    +0.144 HD
ENDBRANCH   6  24
BRANCH   1  27
ATOM     27  C   LIG    1        3.618   0.070  -1.985  0.00  0.00    +0.084 C 
BRANCH  27  29
ATOM     28  C   LIG    1        6.159  -0.120  -1.804  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1        4.865  -0.784  -2.257  0.00  0.00    +0.012 C 
ENDBRANCH  27  29
ENDBRANCH   1  27
TORSDOF 4