REMARK  Name = BDB064236
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.763  -2.225   2.081  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.557  -3.342   1.848  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -1.034  -4.577   1.871  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -2.910  -3.186   1.567  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -3.467  -1.902   1.509  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.678  -0.764   1.748  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -1.318  -0.941   2.052  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        1.055  -2.042   3.491  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.669  -2.367   2.371  0.00  0.00    +0.250 C 
ATOM     10  N   LIG    1        1.522  -2.805   1.358  0.00  0.00    -0.287 N 
ATOM     11  C   LIG    1        1.208  -2.662  -0.061  0.00  0.00    +0.204 C 
ATOM     12  C   LIG    1        1.861  -1.418  -0.697  0.00  0.00    +0.233 C 
ATOM     13  O   LIG    1        1.397  -0.955  -1.744  0.00  0.00    -0.274 OA
ATOM     14  N   LIG    1        3.065  -0.954  -0.135  0.00  0.00    -0.296 N 
ATOM     15  C   LIG    1        3.450  -1.351   1.234  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        2.948  -2.742   1.621  0.00  0.00    +0.127 C 
BRANCH  14  17
ATOM     17  C   LIG    1        3.627   0.290  -0.699  0.00  0.00    +0.076 C 
ATOM     18  C   LIG    1        2.934   1.539  -0.123  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1        3.469   2.821  -0.763  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1        4.989   2.919  -0.660  0.00  0.00    +0.000 C 
ATOM     21  C   LIG    1        5.677   1.676  -1.220  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1        5.153   0.403  -0.555  0.00  0.00    +0.022 C 
ENDBRANCH  14  17
ENDBRANCH   1   9
BRANCH   6  23
ATOM     23  C   LIG    1       -3.247   0.639   1.637  0.00  0.00    +0.162 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.243   1.133   0.259  0.00  0.00    -0.289 N 
ATOM     25  C   LIG    1       -4.396   1.043  -0.582  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1       -4.315   1.486  -1.910  0.00  0.00    +0.063 A 
ATOM     27  C   LIG    1       -5.415   1.419  -2.779  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1       -6.627   0.910  -2.322  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.734   0.473  -1.005  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -3.047   2.038  -2.410  0.00  0.00    +0.262 A 
ATOM     31  O   LIG    1       -2.933   2.466  -3.553  0.00  0.00    -0.267 OA
ATOM     32  N   LIG    1       -2.014   2.061  -1.517  0.00  0.00    -0.274 N 
ATOM     33  H   LIG    1       -1.139   2.445  -1.845  0.00  0.00    +0.173 HD
ATOM     34  C   LIG    1       -5.630   0.543  -0.143  0.00  0.00    +0.027 A 
ATOM     35  C   LIG    1       -2.047   1.667  -0.211  0.00  0.00    +0.330 A 
ATOM     36  O   LIG    1       -1.039   1.807   0.481  0.00  0.00    -0.246 OA
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4