REMARK  Name = BDB060521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.222  -0.541  -0.119  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.783  -0.273   1.271  0.00  0.00    +0.074 A 
ATOM      3  N   LIG    1       -1.612   0.972   1.875  0.00  0.00    -0.143 N 
ATOM      4  O   LIG    1       -1.061   1.957   1.294  0.00  0.00    -0.164 OA
ATOM      5  C   LIG    1       -2.104   1.162   3.164  0.00  0.00    +0.133 A 
ATOM      6  C   LIG    1       -2.769   0.160   3.863  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -2.956  -1.073   3.259  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -2.469  -1.291   1.973  0.00  0.00    +0.026 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      9  C   LIG    1       -2.016  -0.002  -1.319  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -2.823   1.147  -1.265  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -3.518   1.588  -2.396  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -3.408   0.889  -3.590  0.00  0.00    +0.123 A 
ATOM     13  F   LIG    1       -4.075   1.315  -4.670  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -2.612  -0.243  -3.679  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -1.917  -0.684  -2.551  0.00  0.00    +0.007 A 
ENDBRANCH   1   9
BRANCH   1  19
ATOM     16  C   LIG    1        3.090  -0.154  -0.357  0.00  0.00    +0.132 A 
ATOM     17  C   LIG    1        2.288   0.901  -0.781  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        0.898   0.784  -0.708  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        0.299  -0.391  -0.224  0.00  0.00    -0.034 A 
ATOM     20  C   LIG    1        1.134  -1.448   0.188  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        2.524  -1.337   0.110  0.00  0.00    +0.046 A 
BRANCH  16  22
ATOM     22  O   LIG    1        4.477   0.009  -0.501  0.00  0.00    -0.426 OA
BRANCH  22  24
ATOM     23  C   LIG    1        6.717  -0.040   0.202  0.00  0.00    +0.136 C 
ATOM     24  C   LIG    1        5.290  -0.294   0.588  0.00  0.00    +0.309 C 
ATOM     25  O   LIG    1        4.937  -0.699   1.687  0.00  0.00    -0.251 OA
ENDBRANCH  22  24
ENDBRANCH  16  22
ENDBRANCH   1  19
TORSDOF 5