REMARK  Name = BDB053891
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.452   3.039  -1.297  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        0.116   1.848  -1.335  0.00  0.00    +0.224 C 
ATOM      3  N   LIG    1       -1.086   1.452  -1.931  0.00  0.00    -0.294 N 
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        1.073   0.776  -0.813  0.00  0.00    +0.125 C 
ATOM      5  C   LIG    1        1.411   0.980   0.677  0.00  0.00    +0.109 C 
ATOM      6  C   LIG    1        1.723  -0.315   1.399  0.00  0.00    -0.007 A 
ATOM      7  C   LIG    1        0.965  -0.380   2.569  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1        1.033  -1.464   3.432  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1        1.879  -2.512   3.090  0.00  0.00    +0.159 A 
ATOM     10  C   LIG    1        2.644  -2.459   1.923  0.00  0.00    +0.159 A 
ATOM     11  F   LIG    1        3.459  -3.477   1.610  0.00  0.00    -0.202 F 
ATOM     12  F   LIG    1        1.958  -3.580   3.896  0.00  0.00    -0.202 F 
ATOM     13  C   LIG    1        0.152   0.850   2.700  0.00  0.00    +0.196 C 
ATOM     14  C   LIG    1        2.579  -1.357   1.069  0.00  0.00    +0.048 A 
ATOM     15  O   LIG    1        0.206   1.419   1.380  0.00  0.00    -0.363 OA
ATOM     16  C   LIG    1        2.504   2.036   0.905  0.00  0.00    +0.056 C 
ATOM     17  C   LIG    1        3.687   1.859  -0.038  0.00  0.00    +0.084 C 
ATOM     18  N   LIG    1        3.268   1.858  -1.438  0.00  0.00    -0.315 NA
ATOM     19  H   LIG    1        2.795   2.750  -1.631  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1        2.317   0.778  -1.715  0.00  0.00    +0.096 C 
ENDBRANCH   2   4
BRANCH   3  21
ATOM     21  C   LIG    1       -1.930   2.481  -2.511  0.00  0.00    +0.077 C 
ATOM     22  C   LIG    1       -2.562   2.348  -3.875  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1       -1.442   3.317  -3.670  0.00  0.00    +0.024 C 
ENDBRANCH   3  21
BRANCH   3  24
ATOM     24  C   LIG    1       -1.611   0.075  -1.948  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.084  -0.446  -0.599  0.00  0.00    -0.022 A 
ATOM     26  C   LIG    1       -1.720  -1.732  -0.090  0.00  0.00    -0.013 A 
ATOM     27  C   LIG    1       -2.230  -2.131   1.176  0.00  0.00    -0.018 A 
ATOM     28  C   LIG    1       -1.874  -3.372   1.728  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -1.024  -4.243   1.053  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -0.528  -3.887  -0.192  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -3.096  -1.289   1.885  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1       -3.468  -0.053   1.371  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -0.876  -2.656  -0.756  0.00  0.00    +0.009 A 
ATOM     34  C   LIG    1       -2.968   0.362   0.143  0.00  0.00    +0.006 A 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 4