REMARK  Name = BDB008973
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.613  -0.174  -3.353  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        1.786  -0.503  -2.510  0.00  0.00    +0.268 A 
ATOM      3  C   LIG    1        1.859  -0.017  -1.109  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        2.984   0.928  -0.788  0.00  0.00    +0.041 C 
ATOM      5  C   LIG    1        2.807   1.633   0.558  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1        2.329   0.658   1.626  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1        0.995   0.017   1.231  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1        0.946  -0.418  -0.207  0.00  0.00    -0.016 A 
ATOM      9  C   LIG    1       -0.133  -1.329  -0.703  0.00  0.00    +0.069 A 
ATOM     10  N   LIG    1       -0.214  -1.756  -1.929  0.00  0.00    -0.175 NA
ATOM     11  N   LIG    1        0.744  -1.341  -2.799  0.00  0.00    -0.243 N 
ATOM     12  H   LIG    1        0.676  -1.684  -3.752  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -1.233  -1.791   0.249  0.00  0.00    +0.092 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.255  -0.723   0.554  0.00  0.00    -0.038 A 
ATOM     15  C   LIG    1       -2.882  -0.007  -0.473  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1       -3.826   0.955  -0.138  0.00  0.00    +0.107 A 
ATOM     17 BR   LIG    1       -4.665   1.936  -1.528  0.00  0.00    -0.029 Br
ATOM     18  N   LIG    1       -4.186   1.238   1.132  0.00  0.00    -0.248 NA
ATOM     19  C   LIG    1       -3.588   0.523   2.106  0.00  0.00    +0.112 A 
ATOM     20  C   LIG    1       -2.634  -0.456   1.872  0.00  0.00    +0.024 A 
ENDBRANCH  13  14
ENDBRANCH   9  13
TORSDOF 2