REMARK  Name = BDB038472
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.028   1.941  -1.050  0.00  0.00    +0.123 A 
ATOM      2  C   LIG    1       -1.015   1.097  -0.652  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -0.836   0.128   0.346  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.427   0.040   0.947  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        1.492   0.883   0.574  0.00  0.00    -0.012 A 
ATOM      6  C   LIG    1        1.267   1.842  -0.425  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -1.907  -0.730   0.721  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1       -1.848  -1.787   1.636  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1       -0.919  -2.237   2.281  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -3.198  -2.360   1.716  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -3.645  -3.416   2.488  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -4.990  -3.769   2.380  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.846  -3.067   1.510  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -5.376  -1.995   0.728  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -4.030  -1.657   0.852  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1       -3.247  -0.586   0.164  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1       -6.282  -1.238  -0.205  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1       -6.364   0.082   0.117  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -5.841  -1.278  -1.493  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -7.560  -1.703  -0.229  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   5  21
ATOM     21  C   LIG    1        2.817   0.757   1.217  0.00  0.00    -0.007 A 
ATOM     22  C   LIG    1        4.005   0.507   0.489  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        5.240   0.459   1.158  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        5.310   0.622   2.541  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.147   0.843   3.269  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        2.916   0.913   2.614  0.00  0.00    +0.009 A 
BRANCH  22  27
ATOM     27  C   LIG    1        4.012   0.300  -0.959  0.00  0.00    +0.164 A 
ATOM     28  N   LIG    1        3.464  -0.767  -1.627  0.00  0.00    -0.317 N 
ATOM     29  C   LIG    1        2.821  -1.930  -1.078  0.00  0.00    +0.152 C 
ATOM     30  C   LIG    1        3.674  -0.537  -2.953  0.00  0.00    +0.225 A 
ATOM     31  N   LIG    1        4.330   0.588  -3.106  0.00  0.00    -0.138 NA
ATOM     32  N   LIG    1        4.557   1.107  -1.852  0.00  0.00    -0.129 NA
ENDBRANCH  22  27
ENDBRANCH   5  21
BRANCH   1  33
ATOM     33  O   LIG    1       -0.294   2.815  -2.053  0.00  0.00    -0.492 OA
BRANCH  33  35
ATOM     34  C   LIG    1        0.238   4.289  -3.849  0.00  0.00    +0.048 C 
ATOM     35  C   LIG    1        0.791   3.515  -2.666  0.00  0.00    +0.225 C 
ENDBRANCH  33  35
ENDBRANCH   1  33
TORSDOF 6