REMARK  Name = BDB049957
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.797  -1.054  -0.621  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -5.119  -0.048  -0.512  0.00  0.00    +0.251 C 
ATOM      3  C   LIG    1       -3.632   0.050  -0.237  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -2.937  -1.101  -0.174  0.00  0.00    +0.074 C 
ATOM      5  C   LIG    1       -1.440  -1.283   0.086  0.00  0.00    +0.133 C 
ATOM      6  N   LIG    1       -0.555  -0.340   0.081  0.00  0.00    -0.083 NA
ATOM      7  C   LIG    1       -1.264  -2.749   0.290  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -2.520  -3.329   0.074  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1       -2.693  -4.698   0.144  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -1.592  -5.489   0.483  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -0.339  -4.905   0.729  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -0.165  -3.521   0.630  0.00  0.00    +0.012 A 
ATOM     13  N   LIG    1       -3.461  -2.381  -0.298  0.00  0.00    -0.312 N 
ATOM     14  H   LIG    1       -4.466  -2.521  -0.254  0.00  0.00    +0.152 HD
ATOM     15  C   LIG    1       -3.329   1.487  -0.113  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -4.539   2.158  -0.359  0.00  0.00    +0.043 A 
ATOM     17  C   LIG    1       -4.672   3.534  -0.336  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1       -3.531   4.274  -0.041  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -2.311   3.638   0.228  0.00  0.00    +0.016 A 
ATOM     20 BR   LIG    1       -3.629   6.162   0.011  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1       -2.210   2.238   0.198  0.00  0.00    +0.011 A 
ATOM     22  N   LIG    1       -5.567   1.255  -0.597  0.00  0.00    -0.281 N 
ATOM     23  H   LIG    1       -6.533   1.488  -0.769  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   6  24
ATOM     24  O   LIG    1        0.745  -0.796   0.311  0.00  0.00    -0.392 OA
BRANCH  24  25
ATOM     25  C   LIG    1        1.638   0.320   0.244  0.00  0.00    +0.278 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.068  -0.195   0.440  0.00  0.00    +0.128 C 
BRANCH  26  27
ATOM     27  N   LIG    1        4.082   0.867   0.459  0.00  0.00    -0.299 NA
ATOM     28  C   LIG    1        4.240   1.544  -0.831  0.00  0.00    +0.084 C 
ATOM     29  C   LIG    1        5.582   2.251  -0.698  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1        6.327   1.498   0.398  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1        5.413   0.343   0.772  0.00  0.00    +0.084 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 4