REMARK  Name = BDB000611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.883  -3.107   0.396  0.00  0.00    -0.282 OA
ATOM      2  C   LIG    1       -3.076  -2.239   0.153  0.00  0.00    +0.250 C 
ATOM      3  C   LIG    1       -3.310  -0.796   0.134  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -2.100  -0.185  -0.190  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -2.023   1.192  -0.291  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -3.188   1.934  -0.059  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.403   1.299   0.267  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -1.086  -1.141  -0.371  0.00  0.00    -0.248 N 
ATOM      9  C   LIG    1       -4.474  -0.090   0.366  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -1.582  -2.422  -0.212  0.00  0.00    +0.292 C 
ATOM     11  O   LIG    1       -1.017  -3.488  -0.336  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        0.257  -0.861  -0.788  0.00  0.00    +0.219 C 
BRANCH  12  13
ATOM     13  N   LIG    1        0.890  -0.090   0.261  0.00  0.00    -0.327 N 
ATOM     14  H   LIG    1        0.672  -0.479   1.177  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.268   0.174   0.169  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1        3.035   0.370   1.338  0.00  0.00    +0.039 A 
ATOM     17 BR   LIG    1        2.256   0.159   3.062  0.00  0.00    -0.048 Br
ATOM     18  C   LIG    1        4.393   0.703   1.276  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1        5.008   0.874   0.040  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        4.264   0.724  -1.127  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.906   0.391  -1.061  0.00  0.00    +0.024 A 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   8  12
TORSDOF 3