REMARK  Name = BDB006828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.040  -1.129   0.996  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        1.593   0.025   0.465  0.00  0.00    -0.270 N 
ATOM      3  C   LIG    1        2.804   0.105  -0.252  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        3.042   1.424  -0.646  0.00  0.00    -0.024 A 
ATOM      5  C   LIG    1        4.172   1.771  -1.371  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        5.077   0.763  -1.707  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        4.837  -0.560  -1.310  0.00  0.00    +0.020 A 
ATOM      8 BR   LIG    1        6.083  -1.906  -1.777  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1        1.972   2.342  -0.149  0.00  0.00    +0.056 C 
ATOM     10  C   LIG    1        3.698  -0.902  -0.576  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        0.957   1.355   0.442  0.00  0.00    +0.118 C 
ATOM     12  O   LIG    1        1.556  -2.248   0.924  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1       -0.299  -0.975   1.735  0.00  0.00    +0.181 C 
BRANCH  13  20
ATOM     14  C   LIG    1       -3.971   1.490   0.560  0.00  0.00    +0.025 C 
ATOM     15  C   LIG    1       -3.826  -0.034   0.588  0.00  0.00    +0.065 C 
ATOM     16  N   LIG    1       -3.654  -0.499  -0.811  0.00  0.00    -0.311 NA
ATOM     17  H   LIG    1       -2.987   0.134  -1.256  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -3.014  -1.825  -0.810  0.00  0.00    +0.096 C 
ATOM     19  C   LIG    1       -1.608  -1.808  -0.154  0.00  0.00    +0.100 C 
ATOM     20  N   LIG    1       -1.412  -0.693   0.806  0.00  0.00    -0.291 NA
ATOM     21  C   LIG    1       -2.668  -0.461   1.543  0.00  0.00    +0.103 C 
ENDBRANCH  13  20
ENDBRANCH   1  13
TORSDOF 2