REMARK  Name = BDB004476
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.621   3.219  -1.349  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.191   2.514  -0.783  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.012   1.730   0.341  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -1.216   1.017   0.724  0.00  0.00    +0.189 C 
ATOM      5  C   LIG    1       -2.215   1.499  -0.297  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -3.564   1.206  -0.437  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -4.258   1.801  -1.496  0.00  0.00    +0.018 A 
ATOM      8 BR   LIG    1       -6.097   1.424  -1.726  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1       -3.615   2.673  -2.394  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1       -2.258   2.969  -2.242  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -1.592   2.370  -1.190  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -1.070  -0.499   0.746  0.00  0.00    +0.007 A 
ATOM     13  C   LIG    1       -1.311  -1.239   1.919  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -1.160  -2.629   1.938  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.769  -3.300   0.782  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -0.571  -5.008   0.810  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -0.534  -2.595  -0.394  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -0.686  -1.206  -0.412  0.00  0.00    +0.010 A 
ENDBRANCH   4  12
BRANCH   4  19
ATOM     19  O   LIG    1       -1.607   1.536   1.982  0.00  0.00    -0.364 OA
ATOM     20  H   LIG    1       -1.470   2.494   1.907  0.00  0.00    +0.213 HD
ENDBRANCH   4  19
BRANCH   3  21
ATOM     21  C   LIG    1        1.240   1.647   1.072  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.111   0.488   0.644  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        2.688   0.465  -0.635  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        3.470  -0.617  -1.046  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        3.683  -1.685  -0.167  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1        3.125  -1.673   1.117  0.00  0.00    +0.033 A 
ATOM     27  C   LIG    1        2.345  -0.586   1.518  0.00  0.00    +0.007 A 
BRANCH  25  28
ATOM     28  N   LIG    1        4.496  -2.829  -0.595  0.00  0.00    +0.056 N 
ATOM     29  O   LIG    1        4.770  -3.692   0.251  0.00  0.00    -0.126 OA
ATOM     30  O   LIG    1        4.863  -2.864  -1.779  0.00  0.00    -0.126 OA
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 5