REMARK  Name = BDB049945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.918  -0.930  -0.753  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -5.125  -0.025  -0.944  0.00  0.00    +0.251 C 
ATOM      3  C   LIG    1       -3.654   0.017  -0.580  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -3.116  -1.095  -0.047  0.00  0.00    +0.074 C 
ATOM      5  C   LIG    1       -1.670  -1.320   0.405  0.00  0.00    +0.133 C 
ATOM      6  N   LIG    1       -0.673  -0.534   0.161  0.00  0.00    -0.083 NA
ATOM      7  C   LIG    1       -1.694  -2.627   1.123  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -3.002  -3.116   1.005  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1       -3.352  -4.345   1.532  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -2.381  -5.070   2.227  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -1.078  -4.568   2.369  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -0.723  -3.336   1.811  0.00  0.00    +0.012 A 
ATOM     13  N   LIG    1       -3.792  -2.274   0.240  0.00  0.00    -0.312 N 
ATOM     14  H   LIG    1       -4.808  -2.289   0.228  0.00  0.00    +0.152 HD
ATOM     15  C   LIG    1       -3.178   1.363  -0.947  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -4.278   2.016  -1.527  0.00  0.00    +0.043 A 
ATOM     17  C   LIG    1       -4.236   3.312  -2.006  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1       -3.027   3.990  -1.888  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -1.913   3.376  -1.298  0.00  0.00    +0.016 A 
ATOM     20 BR   LIG    1       -2.886   5.767  -2.518  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1       -1.989   2.059  -0.820  0.00  0.00    +0.011 A 
ATOM     22  N   LIG    1       -5.399   1.195  -1.526  0.00  0.00    -0.281 N 
ATOM     23  H   LIG    1       -6.317   1.445  -1.860  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   6  24
ATOM     24  O   LIG    1        0.541  -1.006   0.664  0.00  0.00    -0.392 OA
BRANCH  24  25
ATOM     25  C   LIG    1        1.580  -0.104   0.272  0.00  0.00    +0.278 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.912  -0.639   0.816  0.00  0.00    +0.128 C 
BRANCH  26  27
ATOM     27  N   LIG    1        4.133   0.128   0.536  0.00  0.00    -0.297 NA
ATOM     28  C   LIG    1        4.134   1.469   1.140  0.00  0.00    +0.099 C 
ATOM     29  C   LIG    1        5.458   2.220   0.868  0.00  0.00    +0.096 C 
ATOM     30  N   LIG    1        5.779   2.320  -0.568  0.00  0.00    -0.314 NA
ATOM     31  H   LIG    1        5.039   2.854  -1.022  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1        5.783   0.963  -1.146  0.00  0.00    +0.096 C 
ATOM     33  C   LIG    1        4.463   0.197  -0.897  0.00  0.00    +0.099 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 4