REMARK  Name = BDB008868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.890   0.066   0.014  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        1.380  -0.779  -0.976  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        2.492  -0.470  -1.658  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.722  -1.968  -1.273  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -0.452  -2.301  -0.592  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.984  -1.438   0.381  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.297  -0.253   0.685  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        5.029   0.174   0.557  0.00  0.00    +0.092 C 
ATOM      9  C   LIG    1        3.639   0.221   1.197  0.00  0.00    +0.120 C 
ATOM     10  N   LIG    1        2.876   1.376   0.719  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        1.545   1.351   0.308  0.00  0.00    +0.249 C 
ATOM     12  O   LIG    1        0.860   2.366   0.186  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        3.487   2.688   0.905  0.00  0.00    +0.108 C 
ATOM     14  C   LIG    1        4.965   2.616   1.284  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1        5.694   1.561   0.455  0.00  0.00    +0.016 C 
BRANCH   8  19
ATOM     16  N   LIG    1        6.299  -0.489   2.556  0.00  0.00    -0.329 N 
ATOM     17  H   LIG    1        6.930  -1.143   3.006  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1        6.340   0.472   2.864  0.00  0.00    +0.145 HD
ATOM     19  C   LIG    1        5.883  -0.835   1.304  0.00  0.00    +0.215 C 
ATOM     20  O   LIG    1        6.153  -1.943   0.851  0.00  0.00    -0.276 OA
ENDBRANCH   8  19
ENDBRANCH   1  11
BRANCH   6  21
ATOM     21  C   LIG    1       -2.264  -1.785   1.105  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.437  -2.058   0.167  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -4.116  -0.918  -0.528  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -3.684   0.503  -0.295  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -4.691   1.536  -0.810  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.208   1.155  -2.192  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -5.885  -0.217  -2.165  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -5.123  -1.234  -1.361  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -5.531  -2.651  -1.534  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -6.458  -2.973  -2.269  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -4.811  -3.572  -0.822  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -5.074  -4.546  -0.928  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -3.776  -3.304   0.017  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 4