REMARK  Name = BDB011157
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.800  -2.081   0.804  0.00  0.00    -0.261 N 
ATOM      2  C   LIG    1       -1.967  -0.708   0.696  0.00  0.00    +0.333 A 
ATOM      3  O   LIG    1       -3.089  -0.201   0.760  0.00  0.00    -0.246 OA
ATOM      4  N   LIG    1       -0.815   0.058   0.453  0.00  0.00    -0.289 N 
ATOM      5  C   LIG    1        0.492  -0.549   0.420  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1        0.542  -1.926   0.252  0.00  0.00    +0.082 A 
ATOM      7  C   LIG    1        1.751  -2.538  -0.012  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1        2.917  -1.870  -0.082  0.00  0.00    -0.250 NA
ATOM      9  C   LIG    1        2.922  -0.559   0.215  0.00  0.00    +0.115 A 
ATOM     10  C   LIG    1        4.150   0.112   0.243  0.00  0.00    +0.156 A 
ATOM     11  C   LIG    1        4.275   1.433   0.671  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        3.142   2.116   1.071  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        1.900   1.482   1.009  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.737   0.154   0.528  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -0.660  -2.742   0.386  0.00  0.00    +0.266 A 
ATOM     16  O   LIG    1       -0.602  -3.945   0.146  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   4  17
ATOM     17  C   LIG    1       -1.018   1.410  -0.115  0.00  0.00    +0.092 C 
ATOM     18  C   LIG    1       -1.671   2.423   0.843  0.00  0.00    +0.025 C 
ATOM     19  C   LIG    1       -2.462   3.349  -0.070  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -3.025   2.410  -1.123  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -1.890   1.429  -1.398  0.00  0.00    +0.025 C 
ENDBRANCH   4  17
BRANCH   1  23
ATOM     22  C   LIG    1       -3.765  -3.188  -0.235  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1       -2.991  -2.891   1.044  0.00  0.00    +0.126 C 
ENDBRANCH   1  23
BRANCH  10  24
ATOM     24  O   LIG    1        5.308  -0.568  -0.061  0.00  0.00    -0.404 OA
BRANCH  24  25
ATOM     25  C   LIG    1        5.580  -0.488  -1.455  0.00  0.00    +0.575 C 
ATOM     26  F   LIG    1        4.511  -0.789  -2.222  0.00  0.00    -0.133 F 
ATOM     27  F   LIG    1        6.578  -1.347  -1.756  0.00  0.00    -0.133 F 
ATOM     28  F   LIG    1        6.000   0.760  -1.769  0.00  0.00    -0.133 F 
ENDBRANCH  24  25
ENDBRANCH  10  24
TORSDOF 4