REMARK  Name = BDB046682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.734   1.933  -0.066  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.580   0.728   0.112  0.00  0.00    +0.255 C 
ATOM      3  N   LIG    1        1.589  -0.180   0.349  0.00  0.00    -0.278 N 
ATOM      4  H   LIG    1        1.309  -1.156   0.442  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.804   0.138   0.085  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -1.083  -1.263   0.469  0.00  0.00    +0.350 A 
ATOM      7  O   LIG    1       -0.181  -2.021   0.825  0.00  0.00    -0.244 OA
ATOM      8  O   LIG    1       -2.401  -1.693   0.413  0.00  0.00    -0.421 OA
ATOM      9  C   LIG    1       -3.454  -0.847   0.012  0.00  0.00    +0.153 A 
ATOM     10  C   LIG    1       -3.180   0.472  -0.344  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -4.231   1.303  -0.739  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -5.535   0.804  -0.773  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -5.805  -0.517  -0.416  0.00  0.00    +0.039 A 
ATOM     14 CL   LIG    1       -6.825   1.833  -1.261  0.00  0.00    -0.083 Cl
ATOM     15  C   LIG    1       -4.758  -1.347  -0.021  0.00  0.00    +0.062 A 
ATOM     16 BR   LIG    1       -5.145  -3.138   0.460  0.00  0.00    -0.046 Br
ATOM     17  C   LIG    1       -1.807   0.949  -0.294  0.00  0.00    +0.031 A 
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1        2.980   0.054   0.421  0.00  0.00    +0.077 A 
ATOM     19  C   LIG    1        3.814  -1.029   0.749  0.00  0.00    +0.138 A 
ATOM     20  C   LIG    1        5.202  -0.903   0.766  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        5.782   0.331   0.485  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        4.966   1.421   0.188  0.00  0.00    +0.043 A 
ATOM     23 CL   LIG    1        5.688   2.948  -0.153  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        3.574   1.290   0.154  0.00  0.00    +0.047 A 
BRANCH  19  25
ATOM     25  O   LIG    1        3.311  -2.258   1.082  0.00  0.00    -0.505 OA
ATOM     26  H   LIG    1        2.502  -2.126   1.606  0.00  0.00    +0.292 HD
ENDBRANCH  19  25
ENDBRANCH   3  18
TORSDOF 3