REMARK  Name = BDB049848
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.507  -0.429   0.253  0.00  0.00    +0.103 A 
ATOM      2  N   LIG    1       -1.146   0.585   0.939  0.00  0.00    -0.356 N 
ATOM      3  H   LIG    1       -0.679   1.378   1.357  0.00  0.00    +0.165 HD
ATOM      4  C   LIG    1       -2.491   0.331   1.021  0.00  0.00    +0.098 A 
ATOM      5  C   LIG    1       -2.712  -0.872   0.406  0.00  0.00    +0.036 A 
ATOM      6 BR   LIG    1       -4.350  -1.756   0.214  0.00  0.00    -0.049 Br
ATOM      7  C   LIG    1       -1.482  -1.365  -0.065  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        2.955   0.787  -0.381  0.00  0.00    +0.128 C 
ATOM      9  N   LIG    1        1.565   0.713  -0.003  0.00  0.00    -0.313 N 
ATOM     10  H   LIG    1        1.006   1.540  -0.153  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1        0.913  -0.505  -0.022  0.00  0.00    +0.260 C 
ATOM     12  O   LIG    1        1.491  -1.556  -0.278  0.00  0.00    -0.269 OA
ENDBRANCH   1  11
TORSDOF 1