REMARK  Name = BDB025493
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.681   0.240   0.706  0.00  0.00    -0.297 NA
ATOM      2  C   LIG    1       -3.392   0.970   0.610  0.00  0.00    +0.142 C 
ATOM      3  C   LIG    1       -2.312   0.039   0.137  0.00  0.00    +0.083 A 
ATOM      4  N   LIG    1       -1.007   0.305   0.233  0.00  0.00    -0.166 NA
ATOM      5  N   LIG    1       -0.396  -0.789  -0.326  0.00  0.00    -0.185 N 
ATOM      6  C   LIG    1       -1.337  -1.702  -0.818  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1        1.011  -0.901  -0.353  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1        1.524  -1.912  -0.829  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -2.570  -1.185  -0.515  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -3.952  -1.677  -0.742  0.00  0.00    +0.056 C 
ATOM     11  C   LIG    1       -4.975  -0.534  -0.520  0.00  0.00    +0.089 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        1.759   0.295   0.227  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1        3.151  -0.086   0.709  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1        4.290   0.228  -0.061  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1        5.567  -0.143   0.420  0.00  0.00    -0.027 A 
ATOM     16  C   LIG    1        5.686  -0.782   1.664  0.00  0.00    +0.043 A 
ATOM     17  C   LIG    1        4.553  -1.072   2.410  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1        4.680  -1.686   3.594  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1        6.814   0.126  -0.379  0.00  0.00    +0.046 C 
ATOM     20  N   LIG    1        4.167   0.811  -1.321  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        4.900   1.471  -1.558  0.00  0.00    +0.146 HD
ATOM     22  C   LIG    1        2.858   1.088  -1.881  0.00  0.00    +0.102 C 
ATOM     23  C   LIG    1        3.291  -0.736   1.946  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1        1.851   1.433  -0.796  0.00  0.00    +0.036 C 
ENDBRANCH   7  12
BRANCH   6  25
ATOM     25  N   LIG    1       -1.008  -2.848  -1.458  0.00  0.00    -0.343 N 
ATOM     26  H   LIG    1       -0.031  -3.163  -1.446  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1       -1.673  -3.612  -1.538  0.00  0.00    +0.144 HD
ENDBRANCH   6  25
BRANCH   1  29
ATOM     28  C   LIG    1       -6.229   2.180   0.132  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1       -5.786   1.109   1.123  0.00  0.00    +0.081 C 
ENDBRANCH   1  29
TORSDOF 3