REMARK  Name = BDB049181
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.572   1.658  -2.556  0.00  0.00    +0.105 C 
ATOM      2  N   LIG    1       -0.754   1.979  -1.142  0.00  0.00    -0.303 NA
ATOM      3  C   LIG    1       -2.050   1.508  -0.623  0.00  0.00    +0.092 C 
ATOM      4  C   LIG    1       -2.128  -0.017  -0.381  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1       -0.969  -0.485   0.516  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1        0.380  -0.032  -0.061  0.00  0.00    +0.085 C 
ATOM      7  C   LIG    1        0.360   1.497  -0.311  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -3.476  -0.438   0.181  0.00  0.00    -0.043 A 
ATOM      9  C   LIG    1       -4.289  -1.320  -0.548  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -5.532  -1.720  -0.052  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -5.978  -1.245   1.179  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.183  -0.370   1.914  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -3.940   0.032   1.420  0.00  0.00    +0.004 A 
ENDBRANCH   4   8
BRANCH   6  14
ATOM     14  N   LIG    1        1.441  -0.399   0.878  0.00  0.00    -0.338 N 
ATOM     15  H   LIG    1        1.217  -0.197   1.855  0.00  0.00    +0.146 HD
BRANCH  14  16
ATOM     16  C   LIG    1        2.818  -0.399   0.650  0.00  0.00    +0.067 A 
ATOM     17  C   LIG    1        3.771  -0.309   1.594  0.00  0.00    +0.106 A 
ATOM     18 BR   LIG    1        3.329  -0.146   3.417  0.00  0.00    -0.043 Br
ATOM     19  C   LIG    1        5.227  -0.311   1.246  0.00  0.00    +0.283 A 
ATOM     20  O   LIG    1        6.087  -0.186   2.118  0.00  0.00    -0.265 OA
ATOM     21  N   LIG    1        5.529  -0.455  -0.103  0.00  0.00    -0.232 N 
ATOM     22  C   LIG    1        6.912  -0.443  -0.548  0.00  0.00    +0.176 C 
ATOM     23  N   LIG    1        4.589  -0.544  -1.095  0.00  0.00    -0.175 NA
ATOM     24  C   LIG    1        3.349  -0.524  -0.732  0.00  0.00    +0.157 A 
ENDBRANCH  14  16
ENDBRANCH   6  14
TORSDOF 3