REMARK  Name = BDB022016
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.043  -2.521  -2.203  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        1.500  -1.592  -1.613  0.00  0.00    +0.220 C 
ATOM      3  N   LIG    1        2.116  -0.718  -0.736  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1        1.530  -0.027  -0.288  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.007  -1.332  -1.824  0.00  0.00    +0.078 C 
ATOM      6  C   LIG    1       -0.796  -1.567  -0.540  0.00  0.00    +0.032 C 
ATOM      7  C   LIG    1       -2.149  -0.870  -0.602  0.00  0.00    +0.109 C 
ATOM      8  N   LIG    1       -1.998   0.577  -0.774  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1       -2.779   1.529  -0.116  0.00  0.00    +0.247 C 
ATOM     10  O   LIG    1       -2.442   2.706  -0.004  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -0.815   1.061  -1.477  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -0.255   0.042  -2.462  0.00  0.00    +0.032 C 
BRANCH   9  13
ATOM     13  C   LIG    1       -4.073   1.120   0.477  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1       -5.030   0.439  -0.287  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1       -6.252   0.088   0.290  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1       -6.511   0.433   1.613  0.00  0.00    +0.123 A 
ATOM     17  F   LIG    1       -7.684   0.095   2.163  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1       -5.575   1.131   2.372  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1       -4.353   1.485   1.800  0.00  0.00    +0.016 A 
ENDBRANCH   9  13
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  C   LIG    1        3.476  -0.694  -0.362  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        3.865   0.274   0.575  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        5.201   0.383   1.016  0.00  0.00    +0.075 A 
ATOM     23  C   LIG    1        6.150  -0.501   0.497  0.00  0.00    +0.053 A 
ATOM     24 CL   LIG    1        7.808  -0.452   0.969  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1        5.771  -1.467  -0.438  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        4.443  -1.562  -0.865  0.00  0.00    +0.025 A 
BRANCH  22  27
ATOM     27  C   LIG    1        5.576   1.435   2.025  0.00  0.00    +0.419 C 
ATOM     28  F   LIG    1        6.081   0.916   3.176  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        6.499   2.319   1.558  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        4.511   2.198   2.412  0.00  0.00    -0.166 F 
ENDBRANCH  22  27
ENDBRANCH   3  20
TORSDOF 4