REMARK  Name = BDB042564
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.494  -0.689   0.673  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.663  -0.763   1.657  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.871  -0.202   1.247  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        2.959  -0.137   2.221  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1        4.319  -0.372   1.562  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1        4.479   0.448   0.306  0.00  0.00    -0.040 C 
ATOM      7  C   LIG    1        3.392   0.921  -0.333  0.00  0.00    -0.004 C 
ATOM      8  C   LIG    1        1.972   0.693   0.097  0.00  0.00    +0.135 C 
ATOM      9  O   LIG    1        0.529  -1.306   2.753  0.00  0.00    -0.276 OA
BRANCH   6  10
ATOM     10  C   LIG    1        5.846   0.687  -0.201  0.00  0.00    -0.004 A 
ATOM     11  C   LIG    1        6.831  -0.303  -0.153  0.00  0.00    +0.122 A 
ATOM     12  N   LIG    1        8.108  -0.148  -0.579  0.00  0.00    -0.227 NA
ATOM     13  C   LIG    1        8.428   1.060  -1.080  0.00  0.00    +0.213 A 
ATOM     14  F   LIG    1        9.685   1.242  -1.508  0.00  0.00    -0.184 F 
ATOM     15  C   LIG    1        7.541   2.116  -1.173  0.00  0.00    +0.060 A 
ATOM     16  C   LIG    1        6.234   1.926  -0.724  0.00  0.00    +0.014 A 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -1.756  -1.350   1.233  0.00  0.00    +0.062 C 
BRANCH  17  25
ATOM     18  C   LIG    1       -6.332   1.367   1.003  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -6.203   0.499  -0.221  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1       -5.086  -0.340  -0.438  0.00  0.00    -0.005 A 
ATOM     21  C   LIG    1       -5.032  -1.129  -1.606  0.00  0.00    +0.082 A 
ATOM     22  C   LIG    1       -3.861  -2.013  -1.829  0.00  0.00    +0.259 A 
ATOM     23  N   LIG    1       -2.887  -1.994  -0.854  0.00  0.00    -0.326 N 
ATOM     24  H   LIG    1       -2.111  -2.624  -1.023  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -2.921  -1.225   0.282  0.00  0.00    +0.020 A 
ATOM     26  O   LIG    1       -3.735  -2.729  -2.814  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -6.067  -1.079  -2.538  0.00  0.00    +0.136 A 
ATOM     28  F   LIG    1       -6.045  -1.813  -3.658  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -7.165  -0.253  -2.327  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -3.970  -0.422   0.518  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1       -7.234   0.531  -1.176  0.00  0.00    +0.007 A 
ENDBRANCH  17  25
ENDBRANCH   1  17
TORSDOF 4