REMARK  Name = BDB021909
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.328   2.125   0.913  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -1.815   1.505  -0.014  0.00  0.00    +0.231 C 
ATOM      3  N   LIG    1       -2.336   0.368  -0.620  0.00  0.00    -0.284 N 
ATOM      4  H   LIG    1       -1.809  -0.020  -1.391  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.525  -0.314  -0.290  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -4.379   0.058   0.750  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -5.551  -0.673   1.023  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -5.854  -1.794   0.239  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -5.008  -2.173  -0.800  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.851  -1.437  -1.062  0.00  0.00    +0.023 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -6.449  -0.250   2.160  0.00  0.00    +0.417 C 
ATOM     12  F   LIG    1       -6.803   1.062   2.094  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1       -7.621  -0.946   2.209  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1       -5.866  -0.425   3.378  0.00  0.00    -0.166 F 
ENDBRANCH   7  11
ENDBRANCH   3   5
BRANCH   2  15
ATOM     15  C   LIG    1       -0.473   1.941  -0.630  0.00  0.00    +0.180 C 
BRANCH  15  16
ATOM     16  N   LIG    1        0.649   1.730   0.306  0.00  0.00    -0.291 NA
ATOM     17  C   LIG    1        1.898   2.333  -0.214  0.00  0.00    +0.104 C 
ATOM     18  C   LIG    1        2.565   1.558  -1.377  0.00  0.00    +0.120 C 
ATOM     19  N   LIG    1        2.753   0.128  -1.057  0.00  0.00    -0.327 N 
ATOM     20  C   LIG    1        1.528  -0.519  -0.534  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1        0.906   0.306   0.619  0.00  0.00    +0.104 C 
BRANCH  19  22
ATOM     22  C   LIG    1        3.962  -0.323  -0.516  0.00  0.00    +0.031 A 
ATOM     23  C   LIG    1        4.926   0.525   0.049  0.00  0.00    +0.043 A 
ATOM     24  C   LIG    1        6.125   0.020   0.564  0.00  0.00    +0.043 A 
ATOM     25 CL   LIG    1        7.272   1.100   1.262  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1        6.403  -1.341   0.520  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        5.476  -2.203  -0.051  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        4.277  -1.694  -0.564  0.00  0.00    +0.023 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 5