REMARK  Name = BDB000686
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.065  -0.294   0.286  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1        2.689  -0.256   0.024  0.00  0.00    +0.181 A 
ATOM      3  C   LIG    1        2.154  -0.686  -1.187  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        0.716  -0.618  -1.390  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -0.102  -0.148  -0.431  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1        0.455   0.312   0.860  0.00  0.00    +0.350 A 
ATOM      7  O   LIG    1       -0.270   0.746   1.753  0.00  0.00    -0.244 OA
ATOM      8  C   LIG    1        3.014  -1.171  -2.173  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        4.387  -1.215  -1.925  0.00  0.00    +0.022 A 
ATOM     10 BR   LIG    1        5.551  -1.873  -3.264  0.00  0.00    -0.050 Br
ATOM     11  O   LIG    1        1.830   0.237   1.030  0.00  0.00    -0.418 OA
ATOM     12  C   LIG    1        4.917  -0.780  -0.706  0.00  0.00    +0.064 A 
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1       -1.573  -0.122  -0.748  0.00  0.00    +0.255 C 
ATOM     14  N   LIG    1       -2.377   0.366   0.260  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1       -1.912   0.663   1.119  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1       -1.966  -0.520  -1.842  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -3.780   0.513   0.261  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1       -4.608   0.170  -0.809  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1       -5.993   0.349  -0.720  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -6.561   0.874   0.438  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -5.745   1.219   1.511  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.362   1.040   1.422  0.00  0.00    +0.023 A 
ENDBRANCH  14  17
ENDBRANCH   5  13
BRANCH   1  24
ATOM     23  C   LIG    1        5.848   0.133   1.812  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        4.457   0.159   1.516  0.00  0.00    -0.491 OA
ENDBRANCH   1  24
TORSDOF 3