REMARK  Name = BDB050665
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.294   0.312  -0.659  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1       -1.289   0.177   0.731  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -0.074   0.192   1.415  0.00  0.00    +0.168 A 
ATOM      4  F   LIG    1       -0.095   0.065   2.750  0.00  0.00    -0.202 F 
ATOM      5  C   LIG    1        1.149   0.323   0.750  0.00  0.00    +0.191 A 
ATOM      6  C   LIG    1        1.125   0.439  -0.641  0.00  0.00    +0.168 A 
ATOM      7  F   LIG    1        2.257   0.557  -1.351  0.00  0.00    -0.202 F 
ATOM      8  C   LIG    1       -0.079   0.430  -1.345  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -2.548   0.254  -1.451  0.00  0.00    +0.197 C 
ATOM     10  O   LIG    1       -2.501  -0.305  -2.544  0.00  0.00    -0.287 OA
BRANCH   9  12
ATOM     11  C   LIG    1       -5.034   0.286  -1.123  0.00  0.00    +0.117 A 
ATOM     12  C   LIG    1       -3.772   0.822  -0.913  0.00  0.00    +0.071 A 
ATOM     13  C   LIG    1       -3.978   2.001  -0.123  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1       -5.345   2.057   0.125  0.00  0.00    +0.136 A 
ATOM     15  C   LIG    1       -5.971   3.049   0.877  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1       -5.150   4.053   1.395  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -3.775   4.052   1.157  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -3.174   3.037   0.397  0.00  0.00    +0.012 A 
ATOM     19  O   LIG    1       -5.980   1.018  -0.473  0.00  0.00    -0.459 OA
BRANCH  11  20
ATOM     20  C   LIG    1       -5.539  -0.901  -1.870  0.00  0.00    +0.075 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.302  -2.192  -1.085  0.00  0.00    +0.007 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -5.221  -3.774  -3.084  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -5.892  -3.430  -1.763  0.00  0.00    -0.003 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  11  20
ENDBRANCH   9  12
ENDBRANCH   1   9
BRANCH   5  24
ATOM     24  O   LIG    1        2.257   0.315   1.554  0.00  0.00    -0.486 OA
BRANCH  24  25
ATOM     25  C   LIG    1        3.533   0.392   0.922  0.00  0.00    +0.227 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.592   0.312   2.013  0.00  0.00    +0.023 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.015   0.670   1.588  0.00  0.00    -0.073 C 
BRANCH  27  28
ATOM     28  N   LIG    1        6.748  -0.328   0.671  0.00  0.00    +0.374 N 
ATOM     29  C   LIG    1        8.254  -0.018   0.772  0.00  0.00    -0.093 C 
ATOM     30  C   LIG    1        6.544  -1.776   1.102  0.00  0.00    -0.093 C 
ATOM     31  C   LIG    1        6.359  -0.164  -0.796  0.00  0.00    -0.093 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 10