REMARK  Name = BDB004464
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.147  -3.334   0.894  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.519  -2.352   0.630  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.407  -1.074   1.138  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -1.390  -0.161   0.576  0.00  0.00    +0.191 C 
ATOM      5  C   LIG    1       -2.181  -1.057  -0.340  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -3.283  -0.808  -1.139  0.00  0.00    +0.050 A 
ATOM      7 CL   LIG    1       -4.031   0.736  -1.217  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -3.813  -1.856  -1.905  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -3.246  -3.142  -1.864  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.143  -3.398  -1.052  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -1.642  -2.344  -0.310  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -0.774   1.043  -0.127  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1        0.108   0.874  -1.214  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        0.690   1.975  -1.849  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        0.391   3.262  -1.413  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1        1.115   4.617  -2.186  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -0.486   3.458  -0.351  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -1.064   2.357   0.287  0.00  0.00    +0.010 A 
ENDBRANCH   4  12
BRANCH   4  19
ATOM     19  O   LIG    1       -2.227   0.212   1.655  0.00  0.00    -0.364 OA
ATOM     20  H   LIG    1       -2.266  -0.577   2.219  0.00  0.00    +0.213 HD
ENDBRANCH   4  19
BRANCH   3  21
ATOM     21  C   LIG    1        0.586  -0.687   2.128  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.863  -0.151   1.527  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        2.210   1.200   1.677  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        3.374   1.705   1.095  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        4.205   0.858   0.366  0.00  0.00    +0.018 A 
ATOM     26 BR   LIG    1        5.775   1.543  -0.433  0.00  0.00    -0.050 Br
ATOM     27  C   LIG    1        3.887  -0.490   0.221  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1        2.721  -0.993   0.801  0.00  0.00    +0.006 A 
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 4