REMARK  Name = BDB002152
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.125  -0.820   0.335  0.00  0.00    +0.315 A 
ATOM      2  O   LIG    1        1.122   0.057   0.007  0.00  0.00    -0.405 OA
ATOM      3  C   LIG    1        2.245  -0.659   0.335  0.00  0.00    +0.250 A 
ATOM      4  N   LIG    1        1.961  -1.850   0.818  0.00  0.00    -0.106 NA
ATOM      5  N   LIG    1        0.584  -1.952   0.816  0.00  0.00    -0.092 NA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.538  -0.023   0.114  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        4.716  -0.715   0.444  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1        5.971  -0.132   0.243  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        6.060   1.151  -0.291  0.00  0.00    +0.041 A 
ATOM     10 CL   LIG    1        7.602   1.870  -0.540  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1        4.905   1.854  -0.626  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1        3.650   1.269  -0.424  0.00  0.00    +0.014 A 
ENDBRANCH   3   6
BRANCH   1  15
ATOM     13  O   LIG    1       -2.252  -2.270   0.837  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -2.243  -1.143   0.359  0.00  0.00    +0.253 C 
ATOM     15  N   LIG    1       -1.140  -0.367   0.108  0.00  0.00    -0.234 N 
ATOM     16  H   LIG    1       -1.222   0.557  -0.285  0.00  0.00    +0.160 HD
BRANCH  14  17
ATOM     17  C   LIG    1       -3.551  -0.491   0.079  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1       -3.855   0.223  -1.089  0.00  0.00    +0.030 A 
ATOM     19 BR   LIG    1       -2.655   0.408  -2.551  0.00  0.00    -0.050 Br
ATOM     20  C   LIG    1       -5.119   0.809  -1.237  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1       -6.081   0.678  -0.235  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -5.792  -0.047   0.917  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -4.535  -0.633   1.072  0.00  0.00    +0.014 A 
ENDBRANCH  14  17
ENDBRANCH   1  15
TORSDOF 3