REMARK  Name = BDB055647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.438   0.412   3.412  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -2.126   0.369   2.408  0.00  0.00    +0.251 C 
ATOM      3  C   LIG    1       -1.662   0.221   0.977  0.00  0.00    +0.071 C 
ATOM      4  C   LIG    1       -0.341   0.146   0.751  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        0.342  -0.061  -0.590  0.00  0.00    +0.210 C 
ATOM      6  O   LIG    1       -0.127  -0.120  -1.706  0.00  0.00    -0.285 OA
ATOM      7  C   LIG    1        1.776  -0.198  -0.279  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        1.904  -0.065   1.106  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        3.150  -0.113   1.689  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        4.259  -0.338   0.861  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        4.119  -0.499  -0.540  0.00  0.00    -0.021 A 
ATOM     12  C   LIG    1        2.848  -0.417  -1.123  0.00  0.00    +0.019 A 
ATOM     13  N   LIG    1        0.679   0.206   1.695  0.00  0.00    -0.310 N 
ATOM     14  H   LIG    1        0.467   0.142   2.686  0.00  0.00    +0.152 HD
ATOM     15  C   LIG    1       -2.875   0.184   0.144  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -3.957   0.315   1.029  0.00  0.00    +0.056 A 
ATOM     17  C   LIG    1       -5.275   0.324   0.602  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1       -5.524   0.201  -0.763  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1       -4.455   0.071  -1.663  0.00  0.00    +0.002 A 
ATOM     20 BR   LIG    1       -6.713   0.499   1.813  0.00  0.00    -0.048 Br
ATOM     21  C   LIG    1       -3.127   0.063  -1.212  0.00  0.00    +0.010 A 
ATOM     22  N   LIG    1       -3.502   0.424   2.343  0.00  0.00    -0.280 N 
ATOM     23  H   LIG    1       -4.094   0.519   3.155  0.00  0.00    +0.155 HD
ENDROOT
BRANCH  11  24
ATOM     24  C   LIG    1        5.341  -0.719  -1.393  0.00  0.00    +0.191 C 
BRANCH  24  25
ATOM     25  O   LIG    1        6.101   0.478  -1.490  0.00  0.00    -0.390 OA
ATOM     26  H   LIG    1        5.503   1.224  -1.313  0.00  0.00    +0.210 HD
ENDBRANCH  24  25
ENDBRANCH  11  24
TORSDOF 2