REMARK  Name = BDB047184
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.749   1.834  -1.710  0.00  0.00    -0.039 A 
ATOM      2  C   LIG    1       -0.643   0.976  -1.579  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        0.566   1.446  -1.037  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        0.670   2.782  -0.650  0.00  0.00    +0.147 A 
ATOM      5  F   LIG    1        1.829   3.303  -0.222  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1       -0.411   3.646  -0.801  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -1.613   3.178  -1.332  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1        1.665   0.556  -0.879  0.00  0.00    -0.248 N 
ATOM      9  C   LIG    1        2.484   0.464   0.247  0.00  0.00    +0.208 A 
ATOM     10  C   LIG    1        3.404  -0.550   0.035  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        3.102  -1.136  -1.216  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1        2.063  -0.431  -1.783  0.00  0.00    +0.201 A 
BRANCH  10  13
ATOM     13  C   LIG    1        4.427  -0.939   0.989  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        5.362  -0.003   1.450  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        6.343  -0.382   2.367  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.398  -1.698   2.825  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.476  -2.637   2.364  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        4.494  -2.260   1.446  0.00  0.00    +0.009 A 
ENDBRANCH  10  13
BRANCH   9  19
ATOM     19  O   LIG    1        2.268   1.217   1.328  0.00  0.00    -0.493 OA
ATOM     20  H   LIG    1        2.886   0.920   2.019  0.00  0.00    +0.294 HD
ENDBRANCH   9  19
BRANCH  12  21
ATOM     21  O   LIG    1        1.549  -0.598  -3.002  0.00  0.00    -0.493 OA
ATOM     22  H   LIG    1        1.065   0.205  -3.263  0.00  0.00    +0.294 HD
ENDBRANCH  12  21
ENDBRANCH   3   8
BRANCH   1  23
ATOM     23  C   LIG    1       -3.057   1.343  -2.292  0.00  0.00    +0.093 C 
BRANCH  23  31
ATOM     24  O   LIG    1       -4.598  -3.667  -0.513  0.00  0.00    -0.266 OA
ATOM     25  C   LIG    1       -4.276  -2.534  -0.851  0.00  0.00    +0.272 A 
ATOM     26  C   LIG    1       -4.467  -1.381   0.044  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1       -4.089  -0.112  -0.389  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1       -4.269   0.985   0.461  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1       -4.823   0.802   1.732  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -5.200  -0.470   2.160  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -3.506  -0.008  -1.752  0.00  0.00    +0.074 A 
ATOM     32  N   LIG    1       -3.342  -1.037  -2.532  0.00  0.00    -0.175 NA
ATOM     33  C   LIG    1       -5.023  -1.565   1.316  0.00  0.00    +0.014 A 
ATOM     34  N   LIG    1       -3.723  -2.260  -2.078  0.00  0.00    -0.242 N 
ATOM     35  H   LIG    1       -3.579  -3.044  -2.707  0.00  0.00    +0.192 HD
ENDBRANCH  23  31
ENDBRANCH   1  23
TORSDOF 6