REMARK  Name = BDB038494
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.970   0.417  -1.135  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -0.645   0.550  -0.672  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        0.372  -0.334  -1.064  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        0.029  -1.378  -1.936  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -1.272  -1.516  -2.423  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.262  -0.620  -2.032  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        1.707  -0.194  -0.595  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1        2.222   0.878   0.142  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1        1.716   1.926   0.497  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        3.624   0.559   0.441  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        4.544   1.294   1.163  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        5.826   0.763   1.304  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.154  -0.477   0.725  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        5.207  -1.214  -0.011  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1        3.932  -0.667  -0.138  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1        2.731  -1.198  -0.850  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1        5.545  -2.541  -0.634  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        4.778  -3.552  -0.139  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        5.335  -2.545  -1.980  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        6.837  -2.923  -0.452  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  22
ATOM     21  C   LIG    1       -3.448   1.488   0.640  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -3.023   1.356  -0.704  0.00  0.00    -0.007 A 
ATOM     23  C   LIG    1       -3.622   2.185  -1.677  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -4.598   3.123  -1.336  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.993   3.260  -0.011  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.419   2.453   0.969  0.00  0.00    +0.012 A 
BRANCH  21  29
ATOM     27  C   LIG    1       -3.720  -1.625   1.032  0.00  0.00    +0.152 C 
ATOM     28  N   LIG    1       -3.032  -0.687   1.877  0.00  0.00    -0.317 N 
ATOM     29  C   LIG    1       -2.921   0.675   1.738  0.00  0.00    +0.164 A 
ATOM     30  N   LIG    1       -2.320   1.142   2.819  0.00  0.00    -0.129 NA
ATOM     31  N   LIG    1       -1.990   0.085   3.634  0.00  0.00    -0.138 NA
ATOM     32  C   LIG    1       -2.421  -1.006   3.051  0.00  0.00    +0.225 A 
ENDBRANCH  21  29
ENDBRANCH   1  22
TORSDOF 4