REMARK  Name = BDB002449
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.032   1.463  -0.957  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        0.949   0.389  -0.373  0.00  0.00    +0.218 C 
ATOM      3  N   LIG    1        2.001  -0.452  -0.041  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1        1.758  -1.307   0.445  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.375  -0.253  -0.291  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        4.255  -1.251   0.148  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        5.629  -1.122  -0.065  0.00  0.00    +0.020 A 
ATOM      8 BR   LIG    1        6.801  -2.480   0.534  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1        6.144  -0.004  -0.715  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        5.275   0.991  -1.153  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        3.897   0.868  -0.942  0.00  0.00    +0.023 A 
ENDBRANCH   3   5
BRANCH   2  12
ATOM     12  C   LIG    1       -0.384  -0.197   0.063  0.00  0.00    +0.111 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -1.533   0.781  -0.179  0.00  0.00    +0.093 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -2.814   0.248   0.307  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1       -3.331  -0.859  -0.502  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1       -4.798  -0.936  -0.101  0.00  0.00    +0.017 C 
ATOM     17  C   LIG    1       -5.138   0.446   0.445  0.00  0.00    +0.017 C 
ATOM     18  C   LIG    1       -3.870   1.264   0.260  0.00  0.00    +0.084 C 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   2  12
TORSDOF 4