REMARK  Name = BDB050286
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.471  -0.536   1.435  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -1.293  -0.157   0.771  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -0.156  -0.973   0.821  0.00  0.00    -0.001 A 
ATOM      4  C   LIG    1       -0.190  -2.164   1.555  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -1.357  -2.547   2.215  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.493  -1.740   2.152  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.108  -0.586   0.127  0.00  0.00    +0.084 C 
ATOM      8  N   LIG    1        2.243  -0.958   0.645  0.00  0.00    -0.089 NA
ATOM      9  C   LIG    1        1.007   0.231  -1.146  0.00  0.00    +0.069 C 
BRANCH   8  10
ATOM     10  O   LIG    1        3.328  -0.488  -0.112  0.00  0.00    -0.389 OA
BRANCH  10  11
ATOM     11  C   LIG    1        4.540  -0.920   0.505  0.00  0.00    +0.298 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.700  -0.416  -0.316  0.00  0.00    -0.008 A 
ATOM     13  C   LIG    1        6.318   0.805  -0.001  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        7.379   1.278  -0.774  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        7.816   0.537  -1.866  0.00  0.00    +0.123 A 
ATOM     16  F   LIG    1        8.833   0.993  -2.608  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        7.209  -0.667  -2.202  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        6.148  -1.143  -1.430  0.00  0.00    +0.010 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  C   LIG    1       -3.703   0.334   1.368  0.00  0.00    +0.078 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.468   0.207   0.044  0.00  0.00    +0.230 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.107  -1.171  -0.095  0.00  0.00    +0.334 C 
ATOM     22  O   LIG    1       -4.919  -1.955  -1.014  0.00  0.00    -0.248 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -5.963  -1.490   0.898  0.00  0.00    -0.479 OA
ATOM     24  H   LIG    1       -6.331  -2.354   0.621  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  25
ATOM     25  O   LIG    1       -5.502   1.199  -0.015  0.00  0.00    -0.365 OA
BRANCH  25  27
ATOM     26  C   LIG    1       -6.230   3.387  -0.624  0.00  0.00    +0.034 C 
ATOM     27  C   LIG    1       -5.090   2.390  -0.680  0.00  0.00    +0.157 C 
ENDBRANCH  25  27
ENDBRANCH  20  25
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 10