REMARK  Name = BDB022003
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.817   2.293   0.407  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        1.727   1.738   0.522  0.00  0.00    +0.220 C 
ATOM      3  N   LIG    1        1.442   0.438   0.154  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1        0.487   0.121   0.296  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.558   2.496   1.162  0.00  0.00    +0.078 C 
ATOM      6  C   LIG    1       -0.666   2.588   0.235  0.00  0.00    +0.032 C 
ATOM      7  C   LIG    1       -1.889   1.855   0.782  0.00  0.00    +0.109 C 
ATOM      8  N   LIG    1       -1.490   0.571   1.351  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1       -2.127  -0.646   1.108  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1       -1.828  -1.688   1.686  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -0.583   0.633   2.497  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1        0.222   1.931   2.548  0.00  0.00    +0.032 C 
BRANCH   9  13
ATOM     13  C   LIG    1       -3.233  -0.701   0.138  0.00  0.00    +0.055 A 
ATOM     14  C   LIG    1       -3.017  -0.724  -1.242  0.00  0.00    +0.053 A 
ATOM     15 CL   LIG    1       -1.438  -0.657  -1.933  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1       -4.111  -0.797  -2.108  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1       -5.410  -0.859  -1.597  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -5.621  -0.854  -0.218  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -4.534  -0.781   0.653  0.00  0.00    +0.014 A 
ENDBRANCH   9  13
ENDBRANCH   2   5
BRANCH   3  20
ATOM     20  C   LIG    1        2.325  -0.525  -0.373  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        3.652  -0.266  -0.725  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        4.484  -1.278  -1.250  0.00  0.00    +0.075 A 
ATOM     23  C   LIG    1        3.957  -2.564  -1.414  0.00  0.00    +0.053 A 
ATOM     24 CL   LIG    1        4.893  -3.869  -2.047  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1        2.634  -2.832  -1.061  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        1.824  -1.819  -0.544  0.00  0.00    +0.025 A 
BRANCH  22  27
ATOM     27  C   LIG    1        5.907  -0.962  -1.623  0.00  0.00    +0.419 C 
ATOM     28  F   LIG    1        6.251   0.340  -1.401  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        6.173  -1.181  -2.941  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        6.816  -1.695  -0.922  0.00  0.00    -0.166 F 
ENDBRANCH  22  27
ENDBRANCH   3  20
TORSDOF 4